SCHEMBL2236348

SCHEMBL2236348

[NH]c1cc(CN2CCCCC2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
CXCR4 P61073 1/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PRMT6 Q96LA8 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
GAA P10253 1/20 0.44
ICAM1 P05362 1/20 0.44

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
SCHEMBL2236496 0.83 HRH3 (0.50) HRH3CXCR4ALDH1A1SMN1; SMN2HTT
SCHEMBL2236371 0.83 ALDH1A1 (0.49) CXCR4ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL10651140 0.79 HRH3 (0.52) HRH3CXCR4ALDH1A1SMN1; SMN2POLB
SCHEMBL2234926 0.79 ALDH1A1 (0.53) HRH3CXCR4ALDH1A1SMN1; SMN2POLB
SCHEMBL10651134 0.79 HRH3 (0.52) HRH3CXCR4ALDH1A1SMN1; SMN2POLB
SCHEMBL840568 0.79 SMN1; SMN2 (0.56) HRH3CXCR4ALDH1A1SMN1; SMN2POLB
SCHEMBL7606866 0.79 SMN1; SMN2 (0.57) HRH3CXCR4ALDH1A1SMN1; SMN2POLB
SCHEMBL30508470 0.79 SMN1; SMN2 (0.56) HRH3CXCR4ALDH1A1SMN1; SMN2POLB
SCHEMBL10375084 0.78 CXCR4 (0.55) HRH3CXCR4ALDH1A1SMN1; SMN2POLB
SCHEMBL10375083 0.78 CXCR4 (0.55) HRH3CXCR4ALDH1A1SMN1; SMN2POLB

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 10 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
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 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 (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 HRH3 4112/4885CXCR4 4192/4885ALDH1A1 3711/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 HRH3 4112/4885CXCR4 4192/4885ALDH1A1 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.