SCHEMBL9905082

SCHEMBL9905082

Cc1c(F)cc(Br)c(CNC(=O)c2nc3n(c(=O)c2O)CC2(F)CCC3(N(C)C(=O)C(=O)N(C)C)CC2)c1Br

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.31
MYC P01106 1/20 0.31
WDR5 P61964 1/20 0.31

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
SCHEMBL52832 0.88 CYP2C9 (0.39) CYP2C9KCNH2
SCHEMBL9901158 0.83 CYP2C9 (0.44) CYP2C9KCNH2WDR5
SCHEMBL9904561 0.81 CYP2C9 (0.55) CYP2C9KCNH2
SCHEMBL9901792 0.81 CYP2C9 (0.44) CYP2C9KCNH2WDR5
SCHEMBL9905214 0.79 CYP2C9 (0.34) CYP2C9KCNH2
SCHEMBL9905132 0.78 CYP2C9 (0.39) CYP2C9
SCHEMBL9901113 0.76 KCNH2 (0.38) CYP2C9KCNH2MYCWDR5
SCHEMBL9901114 0.75 KCNH2 (0.37) CYP2C9KCNH2
SCHEMBL9943015 0.75 CYP2C9 (0.44) CYP2C9KCNH2WDR5
SCHEMBL9904932 0.75 MMP13 (0.39) CYP2C9KCNH2MYCWDR5

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-2649077-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-10-16 EP claimed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US claimed
WO-2012078834-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 WO claimed
US-8835411-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
US-8835411-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
US-8835411-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
WO-2012078834-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 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-20120309698-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CYP2C9 602/4885KCNH2 3969/4885MYC 2229/4885

“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.