SCHEMBL2233466

SCHEMBL2233466

Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.80
SIGMAR1 Q99720 4/20 0.79
TMEM97 Q5BJF2 2/20 0.79
SLC6A12 P48065 2/20 0.79
MCHR1 Q99705 1/20 0.79
CYP1A2 P05177 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2D6 P10635 1/20 0.79
CYP2C9 P11712 1/20 0.79
TSHR P16473 1/20 0.79
MAPK1 P28482 1/20 0.79
CYP2C19 P33261 1/20 0.79
KMT2A Q03164 3/20 0.76
MEN1 O00255 2/20 0.76
DRD4 P21917 4/20 0.72
SLC6A13 Q9NSD5 1/20 0.72
LMNA P02545 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
PRKAB2 O43741 1/20 0.70
PRKAG1 P54619 1/20 0.70

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
SCHEMBL11555632 0.92 DRD2 (0.82) KCNH2SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL61848 0.92 TMEM97 (0.83) KCNH2SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL694949 0.92 SIGMAR1 (0.82) KCNH2SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL7218186 0.90 DRD4 (0.86) KCNH2SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL7224869 0.88 SIGMAR1 (0.77) KCNH2SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL8274001 0.88 MEN1 (0.78) KCNH2SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL3366478 0.88 SIGMAR1 (1.00) KCNH2SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL2233461 0.88 TMEM97 (0.77) KCNH2SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL1425074 0.88 SIGMAR1 (1.00) KCNH2SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL31736417 0.88 MCHR1 (0.77) KCNH2SIGMAR1TMEM97SLC6A12MCHR1

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
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 US 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 KCNH2 1971/4885SIGMAR1 4340/4885TMEM97 3307/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 KCNH2 1971/4885SIGMAR1 4340/4885TMEM97 3307/4885

“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.