SCHEMBL4035216

SCHEMBL4035216

COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.83
PLK3 Q9H4B4 11/20 0.83
CDK2 P24941 2/20 0.77
IKBKE Q14164 2/20 0.77
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
PLK4 O00444 1/20 0.71
AURKA O14965 1/20 0.71
JAK2 O60674 1/20 0.71
RPS6KA5 O75582 1/20 0.71
MAP4K4 O95819 1/20 0.71
EGFR P00533 1/20 0.71
ERBB2 P04626 1/20 0.71
NTRK1 P04629 1/20 0.71
LCK P06239 1/20 0.71
CSF1R P07333 1/20 0.71
PDGFRB P09619 1/20 0.71
ALOX5 P09917 1/20 0.71
KIT P10721 1/20 0.71
FGFR1 P11362 1/20 0.71

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
SCHEMBL13206495 1.00 PLK1 (0.83) PLK1PLK3CDK2IKBKECYP3A4
SCHEMBL4405223 0.88 PLK1 (0.83) PLK1PLK3CYP3A4CYP2C9PDGFRB
SCHEMBL5065731 0.88 PLK1 (0.82) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL4405077 0.88 PLK1 (0.81) PLK1PLK3CYP3A4CYP2C9
SCHEMBL3145169 0.88 PLK1 (0.81) PLK1PLK3CYP3A4CYP2C9
SCHEMBL3931682 0.88 PLK1 (0.77) PLK1PLK3CYP3A4CYP2C9PDGFRB
Gsk-237701A SCHEMBL4034890 0.87 PLK1 (1.00) PLK1PLK3CDK2IKBKECYP3A4
Gsk-237701A SCHEMBL5065885 0.87 PLK1 (1.00) PLK1PLK3CDK2IKBKECYP3A4
Gsk-237701A SCHEMBL29644977 0.87 PLK1 (1.00) PLK1PLK3CDK2IKBKECYP3A4
SCHEMBL4403598 0.87 PLK1 (0.80) PLK1PLK3CYP3A4CYP2C9

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-1720864-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LTD (GB) 2009-05-06 EP disclosed
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 GLAXO GROUP LIMITED (GB) 2007-06-28 US disclosed
EP-1720864-A1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2006-11-15 EP disclosed
WO-2005075465-A1 BENZIMIDAZOL SUBSTITUTED THIOPENE DERIVATIVES WITH ATCTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2005-08-18 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 (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-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 IKBKE, IKBKB, TBK1 PLK1 1088/4885PLK3 413/4885CDK2 344/4885

“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.