SCHEMBL2233359

SCHEMBL2233359

CCN1CCN(Cc2ccc([NH])nc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39

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
SCHEMBL1666554 0.81 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL1820767 0.81 HRH3 (0.58) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL2231491 0.81 HRH3 (0.58) ALDH1A1KMT2A
SCHEMBL2233280 0.81 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL2236301 0.80 MEN1 (0.71) KMT2AMEN1TSHRATM
SCHEMBL25018511 0.80 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL20037892 0.80 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL20443001 0.80 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL21161033 0.80 KMT2A (0.67) ALDH1A1NPC1KMT2AKDM4EMEN1
SCHEMBL1126048 0.80 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKMT2AKDM4E

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 12 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
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 ALDH1A1 3711/4885NPC1 1206/4885RAB9A 1661/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 ALDH1A1 3711/4885NPC1 1206/4885RAB9A 1661/4885

“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.