SCHEMBL2233967

SCHEMBL2233967

COc1cc(NC(=O)c2csc3c(NCc4ccc(OC)cc4OC)ncnc23)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.47
AURKB Q96GD4 5/20 0.47
RPS6KB1 P23443 3/20 0.47
CYP1A2 P05177 10/20 0.46
CYP3A4 P08684 10/20 0.46
CYP2C19 P33261 10/20 0.46
CYP2D6 P10635 9/20 0.46
HSD17B10 Q99714 7/20 0.46
ALDH1A1 P00352 6/20 0.46
CLK4 Q9HAZ1 5/20 0.46
MAPK1 P28482 4/20 0.46
LMNA P02545 3/20 0.46
USP2 O75604 2/20 0.46
TSHR P16473 7/20 0.45
CYP2C9 P11712 6/20 0.45
MAPT P10636 2/20 0.43
HIF1A Q16665 2/20 0.42
ALOX15 P16050 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL14125095 0.87 AURKA (0.45) AURKAAURKBRPS6KB1MAPTMEN1
SCHEMBL9930247 0.87 CYP1A2 (0.50) AURKARPS6KB1CYP1A2CYP3A4CYP2C19
SCHEMBL9930489 0.87 KDM4C (0.53) AURKARPS6KB1CYP1A2CYP3A4CYP2C19
SCHEMBL30402747 0.80 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL15542062 0.80 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL24399573 0.79 RAF1 (0.54) AURKAAURKBRPS6KB1CYP1A2CYP3A4
SCHEMBL30402843 0.79 RAF1 (0.54) AURKAAURKBRPS6KB1CYP1A2CYP3A4
SCHEMBL1492014 0.79 BRAF (0.50) AURKAAURKBRPS6KB1CYP1A2CYP3A4
SCHEMBL9930964 0.79 BRAF (0.49) AURKAAURKBRPS6KB1CYP1A2CYP3A4
SCHEMBL15542246 0.78 CYP1A2 (0.52) AURKARPS6KB1CYP1A2CYP3A4CYP2C19

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 AURKA 143/4885AURKB 219/4885RPS6KB1 677/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 AURKA 143/4885AURKB 219/4885RPS6KB1 677/4885

“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.