SCHEMBL1912693

SCHEMBL1912693

CC(C)(C)Cc1ccon1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ESR1 P03372 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
PDE10A Q9Y233 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM1 P11229 1/20 0.30

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
SCHEMBL851507 0.73
SCHEMBL29461512 0.72 PDE10A (0.38) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL21166034 0.72 CYP1A2 (0.34) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL3834698 0.70
SCHEMBL535894 0.69
SCHEMBL541847 0.69
SCHEMBL840043 0.69
SCHEMBL11612891 0.69
SCHEMBL19135559 0.69
SCHEMBL8113516 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-07-04 US disclosed
US-11679093-B2 2-naphthimidamides, analogues thereof, and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2023-06-20 US disclosed
US-11679093-B2 2-naphthimidamides, analogues thereof, and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2023-06-20 US disclosed
US-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-02-16 US disclosed
US-20230033320-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH (CN) 2023-02-02 US disclosed
US-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-12-20 US disclosed
US-20220017510-A1 BIFUNCTIONAL MOLECULES FOR DEGRADATION OF EGFR AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2022-01-20 US disclosed
US-11207325-B2 Triazolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2021-12-28 US disclosed
US-20210017169-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-01-21 US disclosed
US-20200323859-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD. (CN) 2020-10-15 US disclosed
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 US disclosed
US-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120022040-A1 ANTIMICROBIALS AMPLYX PHARMACEUTICALS, INC. 2012-01-26 US disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases PFIZER, INC. 2011-02-24 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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 (17 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-11207325-B2 Triazolopyrimidine compounds and uses thereof EZH2, DOT1L, EED CYP1A2 2702/4885CYP2D6 2378/4885CYP19A1 3406/4885
US-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C CYP1A2 1174/4885CYP2D6 1256/4885CYP19A1 2408/4885
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 CYP1A2 1581/4885CYP2D6 1379/4885CYP19A1 664/4885
US-20110105530-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 CYP1A2 227/4885CYP2D6 241/4885CYP19A1 235/4885
US-20200323859-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED CYP1A2 2702/4885CYP2D6 2378/4885CYP19A1 3406/4885
US-20220017510-A1 BIFUNCTIONAL MOLECULES FOR DEGRADATION OF EGFR AND METHODS OF USE EGFR, ERBB2, ERBB3 CYP1A2 3906/4885CYP2D6 4047/4885CYP19A1 2223/4885
US-20210017169-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C CYP1A2 1174/4885CYP2D6 1256/4885CYP19A1 2408/4885
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE SCD, SCD5, FADS2 CYP1A2 225/4885CYP2D6 329/4885CYP19A1 276/4885
US-20120022040-A1 ANTIMICROBIALS PAM, MPO, OXA1L CYP1A2 2508/4885CYP2D6 1160/4885CYP19A1 2738/4885
US-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN2C CYP1A2 1174/4885CYP2D6 1256/4885CYP19A1 2408/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK CYP1A2 399/4885CYP2D6 398/4885CYP19A1 1043/4885
US-11679093-B2 2-naphthimidamides, analogues thereof, and methods of treatment using same TMPRSS2, TMPRSS4, TMPRSS15 CYP1A2 1420/4885CYP2D6 2606/4885CYP19A1 3866/4885
US-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 CYP1A2 373/4885CYP2D6 205/4885CYP19A1 1683/4885
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED CYP1A2 2702/4885CYP2D6 2378/4885CYP19A1 3406/4885
US-20230033320-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED CYP1A2 2702/4885CYP2D6 2378/4885CYP19A1 3406/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 CYP1A2 1981/4885CYP2D6 1702/4885CYP19A1 2353/4885
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases SNCA, PARK7, HTT CYP1A2 2420/4885CYP2D6 1351/4885CYP19A1 3278/4885

“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.