SCHEMBL6618447

SCHEMBL6618447

N#Cc1ccc2c(c1)NCC(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
GSK3B P49841 7/20 0.44
CDK5 Q00535 6/20 0.44
CDK5R1 Q15078 6/20 0.44
GSK3A P49840 4/20 0.44
SMYD3 Q9H7B4 1/20 0.44
CCNB2 O95067 4/20 0.43
CDK1 P06493 4/20 0.43
CCNB1 P14635 4/20 0.43
CCNB3 Q8WWL7 4/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL6615390 0.93 GSK3B (0.44) CYP11B1CYP11B2GSK3BCDK5CDK5R1
SCHEMBL21383855 0.75 KDM4E (0.45) GSK3BCDK5CDK5R1GSK3AKDM4E
SCHEMBL30529587 0.75 KDM4E (0.45) GSK3BCDK5CDK5R1GSK3AKDM4E
SCHEMBL29242099 0.75 SNCA (0.47) KDM4EALDH1A1MAPTSMN1; SMN2SNCA
SCHEMBL1119397 0.74 CMA1 (0.56) CYP11B1CYP11B2GSK3BCDK5CDK5R1
SCHEMBL1795090 0.74 AHR (0.56) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL29771067 0.74 PGR (0.56) CYP11B1CYP11B2GSK3BCDK5CDK5R1
SCHEMBL261156 0.74 PGR (0.56) CYP11B1CYP11B2GSK3BCDK5CDK5R1
SCHEMBL20756641 0.74 DRD2 (0.40) GSK3BCDK5CDK5R1GSK3AKDM4E
SCHEMBL2360570 0.73 CA9 (0.53) CYP11B1CYP11B2GSK3BCDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015429-B1 BENZIMIDAZOLINONES, BENZOXAZOLINONES, BENZOPIPERAZINONES, INDANONES, AND DERIVATIVES THEREOF AS INHIBITORS OF FACTOR XA BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-12 EP disclosed
US-6552042-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-22 US disclosed
US-20010021775-A1 Benzimidazolinones, benzoxazolinones, benzopiperazinones, indanones, and derivatives thereof as inhibitors of factor Xa HAN QI (US) 2001-09-13 US disclosed
US-6207697-B1 AMIDINYL-SUBSTITUTED RINGS; ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS; ANTIISCHEMIC AND ANTIINFLAMMATORY AGENTS; STROKES; SERINE PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY 2001-03-27 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 (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-20010021775-A1 Benzimidazolinones, benzoxazolinones, benzopiperazinones, indanones, and derivatives thereof as inhibitors of factor Xa F12, F13B, F11 CYP11B1 668/4885CYP11B2 892/4885GSK3B 638/4885

“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.