SCHEMBL1012771

SCHEMBL1012771

CC(C)(C#N)c1cc(N)on1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.37
CNR1 P21554 3/20 0.35
MBOAT4 Q96T53 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
CHRNA7 P36544 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
SCHEMBL20320548 0.78 CNR2 (0.38) CNR2CNR1MBOAT4KDM4EALDH1A1
SCHEMBL23966685 0.77 MEN1 (0.41) CNR2CNR1
SCHEMBL25799445 0.76 CNR2 (0.39) CNR2CNR1ALDH1A1
SCHEMBL1012674 0.74 BRD4 (0.33) KDM4EALDH1A1MAPTBLM
SCHEMBL1012946 0.74 ALDH1A1 (0.33) KDM4EALDH1A1MAPTBLM
SCHEMBL17796648 0.74 CYP1A2 (0.38) CNR2CNR1KDM4EALDH1A1MAPT
SCHEMBL25796919 0.72 CNR2 (0.36) CNR2CNR1
SCHEMBL29010902 0.71 CNR2 (0.39) CNR2CNR1ALDH1A1
SCHEMBL9713142 0.71 KDM4E (0.31) CNR2KDM4EALDH1A1MAPTBLM
SCHEMBL24410810 0.71 KDM4E (0.31) KDM4EALDH1A1MAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12344601-B2 (cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2025-07-01 US disclosed
US-20240092769-A1 (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2024-03-21 US disclosed
US-11725004-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-15 US disclosed
US-11725004-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-15 US disclosed
US-11725004-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-15 US disclosed
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
US-8865744-B1 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
US-20140121206-A1 TRPV4 ANTAGONISTS GlaxoSmithKliine, LLC (US) 2014-05-01 US disclosed
EP-2721016-A1 TRPV4 ANTAGONISTS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-04-23 EP disclosed
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2014-02-13 US disclosed
US-8618289-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-12-31 US disclosed
WO-2013012500-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2013-01-24 WO disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 US disclosed
CN-102026985-A Quinazoline derivatives as RAF kinase modulators and methods and uses thereof AMBIT BIOSCIENCES CORPORATON 2011-04-20 CN disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO 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 (9 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-20140121206-A1 TRPV4 ANTAGONISTS TRPV4, TRPV3, TRPV5 CNR2 272/4885CNR1 239/4885MBOAT4 3652/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CNR2 3219/4885CNR1 2528/4885MBOAT4 3647/4885
US-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 CNR2 3192/4885CNR1 2317/4885MBOAT4 4484/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 CNR2 3084/4885CNR1 2194/4885MBOAT4 4515/4885
US-11725004-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885MBOAT4 1343/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 CNR2 4544/4885CNR1 4436/4885MBOAT4 4041/4885
US-20240092769-A1 (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885MBOAT4 1343/4885
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CNR2 2910/4885CNR1 2814/4885MBOAT4 4581/4885
US-12344601-B2 (cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885MBOAT4 1343/4885

“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.