SCHEMBL2233461

SCHEMBL2233461

[NH]c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.77
SIGMAR1 Q99720 3/20 0.77
SLC6A12 P48065 3/20 0.77
MCHR1 Q99705 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2C9 P11712 1/20 0.77
TSHR P16473 1/20 0.77
MAPK1 P28482 1/20 0.77
CYP2C19 P33261 1/20 0.77
KMT2A Q03164 3/20 0.74
MEN1 O00255 2/20 0.74
KCNH2 Q12809 1/20 0.74
DRD4 P21917 3/20 0.70
SLC6A13 Q9NSD5 2/20 0.70
LMNA P02545 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
PRKAB2 O43741 1/20 0.69
PRKAG1 P54619 1/20 0.69

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
SCHEMBL61848 0.91 TMEM97 (0.83) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL694949 0.91 SIGMAR1 (0.82) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL7218186 0.88 DRD4 (0.86) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL2233466 0.88 KCNH2 (0.80) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL8274001 0.87 MEN1 (0.78) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL3366478 0.87 SIGMAR1 (1.00) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL1425074 0.87 SIGMAR1 (1.00) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL7224869 0.87 SIGMAR1 (0.77) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
SCHEMBL31736417 0.87 MCHR1 (0.77) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2
Bicarbonate SCHEMBL9236554 0.86 TMEM97 (0.76) TMEM97SIGMAR1SLC6A12MCHR1CYP1A2

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 TMEM97 3307/4885SIGMAR1 4340/4885SLC6A12 4351/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 TMEM97 3307/4885SIGMAR1 4340/4885SLC6A12 4351/4885

“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.