SCHEMBL4210048

SCHEMBL4210048

COc1ccc(-c2cc(C(=O)N[C@H]3CCCCN(C(=O)O)C3)c(NC(=O)Nc3cnccn3)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 11/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CDK2AP1 O14519 5/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ PROKR1 Q8TCW9 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL5554768 0.91 CHEK1 (0.51) CHEK1CDK2AP1
SCHEMBL5001102 0.91 USP30 (0.43) CHEK1KDM4EPOLBCDK2AP1CNR1
SCHEMBL4703508 0.90 KDM4E (0.46) CHEK1KDM4EPOLBCDK2AP1CNR1
SCHEMBL5556375 0.89 CHEK1 (0.54) CHEK1CDK2AP1
SCHEMBL4702699 0.86 CHEK1 (0.54) CHEK1KDM4ECDK2AP1RAB9ACHRNB2
SCHEMBL4209769 0.84 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL5784504 0.84 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL1563863 0.84 USP30 (0.53) CHEK1CDK2AP1
SCHEMBL5001107 0.84 KDM4E (0.40) CHEK1KDM4EPOLBCDK2AP1
Hydrochloric Acid SCHEMBL4221917 0.84 CHEK1 (0.55) CHEK1CDK2AP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2009-02-26 — — US disclosed
EP-1660474-B1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2008-10-29 — — EP 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 (1 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-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF TPMT, ABCG2, TYMP CHEK1 297/4885KDM4E 1951/4885POLB 1837/4885

“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.

Send feedback