SCHEMBL5529615

SCHEMBL5529615

Cc1cc(C(C)C)c(OCC#N)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
POLB P06746 4/20 0.35
GAA P10253 3/20 0.35
GFER P55789 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
PKM P14618 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL1494087 0.83 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL5532289 0.81 POLB (0.42) LMNAPOLBGAAGFERALDH1A1
SCHEMBL20177154 0.81 ADRA1A (0.38) LMNAPOLBGAAGFERALDH1A1
SCHEMBL14599985 0.78 P2RX3 (0.46) LMNAPOLBGAAGFERALDH1A1
SCHEMBL22448701 0.76 POLB (0.33) POLBGAAALDH1A1ALOX15HTT
SCHEMBL19364184 0.76 P2RX3 (0.42) LMNAPOLBGAAGFERALDH1A1
SCHEMBL28767120 0.75 LMNA (0.57) LMNAPOLBGAAGFERALDH1A1
SCHEMBL25484238 0.74 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL18959730 0.74 ALDH1A1 (0.40) LMNAPOLBGAAALDH1A1MAPT
SCHEMBL2485209 0.74 P2RX3 (0.50) LMNACYP1A2CYP2D6HTR2CP2RX3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9556127-B2 Diaminopyrimidines as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2017-01-31 US disclosed
US-20160271131-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2016-09-22 US disclosed
US-20160263112-A1 SUBSTITUTED PYRIMIDINES FOR TREATMENT OF ACUTE COUGH, CHRONIC COUGH AND URGE TO COUGH Afferent Pharmaceuticals, Inc. (US) 2016-09-15 US disclosed
US-9284279-B2 Substituted pyrimidines for treatment of acute cough, chronic cough and urge to cough Afferent Pharmaceuticals, Inc. (US) 2016-03-15 US disclosed
US-20150057299-A1 Methods of Using Diaminopyrimidine P2X3 and P2X 2/3 Receptor Modulators for Treatment of Acute and Sub-Acute Cough, Urge to Cough and Chronic Cough, in Respiratory Diseases Afferent Pharmaceuticals, Inc. 2015-02-26 US disclosed
US-20140357629-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2014-12-04 US disclosed
US-8846705-B2 Diaminopyrimidines as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2014-09-30 US disclosed
EP-1924264-B9 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS HOFFMANN LA ROCHE (CH) 2014-02-19 EP disclosed
EP-1924264-B1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS HOFFMANN LA ROCHE (CH) 2013-09-18 EP 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-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-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 (11 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 4593/4885POLB 2391/4885GAA 3704/4885
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 LMNA 3419/4885POLB 2392/4885GAA 2623/4885
US-20170151241-A1 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS P2RX3, P2RX2, P2RX5 LMNA 626/4885POLB 4055/4885GAA 1323/4885
US-20110077242-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 LMNA 3166/4885POLB 2735/4885GAA 2503/4885
US-20150057299-A1 Methods of Using Diaminopyrimidine P2X3 and P2X 2/3 Receptor Modulators for Treatment of Acute and Sub-Acute Cough, Urge to Cough and Chronic Cough, in Respiratory Diseases P2RX3, P2RX2, P2RX5 LMNA 4682/4885POLB 3763/4885GAA 4287/4885
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 4095/4885POLB 2698/4885GAA 3192/4885
US-20170096404-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 LMNA 3419/4885POLB 2392/4885GAA 2623/4885
US-20130225570-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 LMNA 4079/4885POLB 2957/4885GAA 3079/4885
US-20160271131-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 LMNA 4079/4885POLB 2957/4885GAA 3079/4885
US-20140357629-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 LMNA 3166/4885POLB 2735/4885GAA 2503/4885
US-20160263112-A1 SUBSTITUTED PYRIMIDINES FOR TREATMENT OF ACUTE COUGH, CHRONIC COUGH AND URGE TO COUGH P2RX3, P2RX2, P2RX1 LMNA 4593/4885POLB 2391/4885GAA 3704/4885

“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.