SCHEMBL5525837

SCHEMBL5525837

Cc1ccc(Br)c(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TRPA1 O75762 1/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
CYP2A6 P11509 3/20 0.40
CYP1A2 P05177 2/20 0.40
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27777980 0.84 LMNA (0.39) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL135819 0.82 LMNA (0.42) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL2477156 0.82 LMNA (0.42) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL16950494 0.82 LMNA (0.38) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL29390294 0.81 TRPA1 (0.56) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL5335913 0.81 TRPA1 (0.56) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL12353580 0.79 PDE3B (0.36) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL30624988 0.79 PDE3B (0.36) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL25474598 0.79 LMNA (0.35) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL12263566 0.78 GABRA1 (0.50) CYP2A6GABRA1GABRB1ALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION AMGEN INC. (US) 2023-11-16 US disclosed
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2023-10-26 US disclosed
WO-2022087011-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-04-28 WO disclosed
EP-3892618-A1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2021-10-13 EP disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 US disclosed
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2018-05-24 US disclosed
US-20170326142-A1 SUBSTITUTED PYRIMIDINES FOR TREATMENT OF ACUTE COUGH, CHRONIC COUGH AND URGE TO COUGH Afferent Pharmaceuticals. Inc. (US) 2017-11-16 US disclosed
US-9724346-B2 Substituted pyrimidines for treatment of a cough selected from chronic pathological cough, sub-acute pathological cough, acute pathological cough, neuronal hypersensitivity underlying chronic cough, neuronal hypersensitivity underlying sub-acute cough and neuronal hypersensitivity underlying acute cough AFFERENT PHARMACEUTICALS INC. (US) 2017-08-08 US disclosed
US-20170151241-A1 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS AFFERENT PHARMACEUTICALS INC. (US) 2017-06-01 US disclosed
US-20170096404-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-8846705-B2 Diaminopyrimidines as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2014-09-30 US disclosed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP disclosed
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2014-08-07 US disclosed
US-8524725-B2 Methods of using diaminopyrimidine as P2X3 and P2X⅔ receptor modulators for treatment of respiratory and gastrointestinal diseases ROCHE PALO ALTO LLC (US) 2013-09-03 US disclosed
US-20130225570-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2013-08-29 US disclosed
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 US disclosed
EP-1725540-B1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-09-12 EP disclosed
US-20120122859-A1 METHODS OF USING DIAMINOPYRIMIDINE AS P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC. 2012-05-17 US disclosed
US-20110160188-A1 PARAMYXOVIRUS FAMILY INHIBITORS AND METHODS OF USE THEREOF EMORY UNIVERSITY 2011-06-30 US disclosed
US-20110077242-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC 2011-03-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170326142-A1 SUBSTITUTED PYRIMIDINES FOR TREATMENT OF ACUTE COUGH, CHRONIC COUGH AND URGE TO COUGH P2RX3, P2RX2, P2RX1 LMNA 4593/4885TRPA1 35/4885CHRM1 126/4885
US-20110160188-A1 PARAMYXOVIRUS FAMILY INHIBITORS AND METHODS OF USE THEREOF MAVS, SARS1, CDV3 LMNA 1391/4885TRPA1 4587/4885CHRM1 4760/4885
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 LMNA 3419/4885TRPA1 183/4885CHRM1 459/4885
US-20170151241-A1 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS P2RX3, P2RX2, P2RX5 LMNA 626/4885TRPA1 234/4885CHRM1 439/4885
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS LMNA 3948/4885TRPA1 3903/4885CHRM1 3556/4885
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY FLT3, ERBB2, ABL1 LMNA 3233/4885TRPA1 3126/4885CHRM1 3106/4885
US-20110077242-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 LMNA 3166/4885TRPA1 205/4885CHRM1 500/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS LMNA 2823/4885TRPA1 4813/4885CHRM1 4864/4885
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT TMPRSS2, TMPRSS4, PRSS2 LMNA 3453/4885TRPA1 2742/4885CHRM1 4873/4885
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION MCL1, BAK1, BCL2A1 LMNA 988/4885TRPA1 3709/4885CHRM1 3829/4885
US-20120122859-A1 METHODS OF USING DIAMINOPYRIMIDINE AS P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX6 LMNA 4095/4885TRPA1 268/4885CHRM1 185/4885
US-20170096404-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 LMNA 3419/4885TRPA1 183/4885CHRM1 459/4885
US-20130225570-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 LMNA 4079/4885TRPA1 234/4885CHRM1 176/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.