SCHEMBL15434635

SCHEMBL15434635

Cc1ncc(C#N)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MBOAT4 Q96T53 2/20 0.38
KDM4E B2RXH2 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
IDH1 O75874 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
TSHR P16473 2/20 0.33
CDK1 P06493 2/20 0.33
KDR P35968 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 2/20 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
SCHEMBL20168096 0.78 CSNK1A1 (0.37) CSNK1A1CLK4MBOAT4KDM4ENPSR1
SCHEMBL24135156 0.78 CSNK1A1 (0.60) CSNK1A1CLK4MBOAT4KDM4ENPSR1
SCHEMBL28110085 0.78 CSNK1A1 (0.37) CSNK1A1CLK4MBOAT4KDM4ENPSR1
SCHEMBL1579901 0.78 ADORA2A (0.51) CSNK1A1CLK4MBOAT4KDM4ENPSR1
SCHEMBL12726136 0.78 CSNK1A1 (0.37) CSNK1A1CLK4KDM4EKMT2AALDH1A1
SCHEMBL12726137 0.78 CSNK1A1 (0.46) CSNK1A1CLK4KDM4ENPSR1ALDH1A1
SCHEMBL14932504 0.78 CSNK1A1 (0.37) CSNK1A1CLK4KDM4EKMT2AADORA2A
SCHEMBL584580 0.78 CSNK1A1 (0.60) CSNK1A1CLK4KDM4EKMT2AALDH1A1
SCHEMBL2872592 0.75 CSNK1A1 (0.35) CSNK1A1CLK4MBOAT4KDM4ENPSR1
SCHEMBL21550205 0.75 GAA (0.44) CSNK1A1CLK4KDM4EKMT2AALDH1A1

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
WO-2023212147-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS CELGENE CORPORATION (US) 2023-11-02 WO disclosed
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
EP-3656769-B1 ARYL-PHOSPHORUS-OXYGEN COMPOUND AS EGFR KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2023-01-25 EP disclosed
WO-2022068849-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE BEIGENE, LTD. (KY) 2022-04-07 WO disclosed
EP-3421464-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2021-11-24 EP disclosed
EP-3057956-B1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2021-05-05 EP disclosed
US-20200207768-A1 Aryl-Phosphorus-Oxygen Compound As EGFR Kinase Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-02 US disclosed
EP-3656769-A1 ARYL-PHOSPHORUS-OXYGEN COMPOUND AS EGFR KINASE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-05-27 EP disclosed
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 EP disclosed
CN-110139862-A It can be used as the bicyclic heterocycles derivative of ROMK channel inhibitor being substituted 百时美施贵宝公司 2019-08-16 CN disclosed
US-9663497-B2 Benzoimidazol-2-yl pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2017-05-30 US disclosed
US-20160340337-A1 BENZOIMIDAZOL-2-YL PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR NOVASSAY S.A. (CH) 2016-11-24 US disclosed
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2016-09-15 US disclosed
WO-2015058140-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-23 WO disclosed
US-8859575-B2 Benzoimidazol-2-yl pyrimidine modulators of the histamine h4 receptor JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-20140256942-A1 Benzoimidazol-2-yl pyrimidine modulators of the histamine h4 receptor JANSSEN PHARMACEUTICA NV (US) 2014-09-11 US disclosed
US-20140051708-A1 PYRAZOLYL-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-20 US disclosed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 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 (6 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-20160340337-A1 BENZOIMIDAZOL-2-YL PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 CSNK1A1 2311/4885CLK4 1957/4885MBOAT4 4779/4885
US-20140051708-A1 PYRAZOLYL-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K6 CSNK1A1 188/4885CLK4 600/4885MBOAT4 4628/4885
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RICTOR, RPTOR CSNK1A1 188/4885CLK4 2325/4885MBOAT4 399/4885
US-20140256942-A1 Benzoimidazol-2-yl pyrimidine modulators of the histamine h4 receptor HRH4, HRH3, HRH2 CSNK1A1 2311/4885CLK4 1957/4885MBOAT4 4779/4885
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 CSNK1A1 365/4885CLK4 191/4885MBOAT4 4479/4885
US-20200207768-A1 Aryl-Phosphorus-Oxygen Compound As EGFR Kinase Inhibitor EGFR, ERBB2, ERBB3 CSNK1A1 164/4885CLK4 1445/4885MBOAT4 3481/4885

“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.