SCHEMBL2234813

SCHEMBL2234813

COc1cc(C#N)cc(NC(=O)c2csc3c(Cl)ncnc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATF1 P18846 1/20 0.41
NFKB1 P19838 1/20 0.41
P2RX1 P51575 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
STAT1 P42224 1/20 0.39
TSHR P16473 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CSF1R P07333 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PPARG P37231 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 2/20 0.36

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
SCHEMBL2231669 0.92 ATF1 (0.47) ATF1NFKB1P2RX1STAT1TSHR
SCHEMBL14125092 0.87 CSF1R (0.40) P2RX1RAF1BRAFCSF1RKDM4E
SCHEMBL14125049 0.86 RAF1 (0.43) ATF1NFKB1P2RX1STAT1TSHR
SCHEMBL2236362 0.80 RAF1 (0.48) ATF1NFKB1P2RX1STAT1TSHR
SCHEMBL2236403 0.79 BRAF (0.56) ATF1NFKB1TSHREGLN1RAF1
SCHEMBL2232156 0.79 ALDH1A1 (0.46) TSHRRAF1BRAFALDH1A1CSF1R
SCHEMBL2233525 0.77 EGLN1 (0.43) ATF1NFKB1P2RX1STAT1TSHR
SCHEMBL2236576 0.77 IRAK4 (0.48) RAF1BRAFALDH1A1CSF1RMAPT
SCHEMBL2233432 0.76 EGLN1 (0.41) ATF1NFKB1P2RX1STAT1TSHR
SCHEMBL14125043 0.75 ALDH1A1 (0.43) STAT1TSHRRAF1BRAFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP claimed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US claimed
EP-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 EP claimed
EP-2528920-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2012-12-05 EP claimed
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 US claimed
WO-2011093672-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2011-08-04 WO claimed
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP disclosed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US disclosed
EP-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 EP disclosed
EP-2528920-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2012-12-05 EP disclosed
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 US disclosed
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 US disclosed
WO-2011093672-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2011-08-04 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 (2 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-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CDK2, SBK3, CDK2AP1 ATF1 1591/4885NFKB1 1822/4885P2RX1 4452/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 ATF1 1591/4885NFKB1 1822/4885P2RX1 4452/4885

“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.