SCHEMBL2235335

SCHEMBL2235335

CCN(CC)CCCOCc1ccc([NH])nc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOB P27338 1/20 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
SCHEMBL2234799 0.91 BIRC5 (0.42) BIRC5HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2235340 0.83 HRH3 (0.39) BIRC5HRH3ALDH1A1KDM4ETDP1
SCHEMBL2234361 0.79 KDM4E (0.53) HRH3KDM4EMAOB
SCHEMBL2233332 0.75 ICAM1 (0.36) ALDH1A1
SCHEMBL2233915 0.74 SMN1; SMN2 (0.44) BIRC5HRH3KDM4ESMN1; SMN2
SCHEMBL2234802 0.74 CYP2D6 (0.40) BIRC5HRH3KDM4ESMN1; SMN2
SCHEMBL21172037 0.73 KCNH2 (0.55) ALDH1A1TDP1MAOB
SCHEMBL2234892 0.70 BIRC5 (0.38) BIRC5KDM4ESMN1; SMN2MAOB
SCHEMBL14287637 0.70 HRH3 (0.54) HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21412772 0.69 HCAR3 (0.44) BIRC5SMN1; SMN2

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 BIRC5 670/4885HRH3 4112/4885ALDH1A1 3711/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 BIRC5 670/4885HRH3 4112/4885ALDH1A1 3711/4885

“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.