SCHEMBL9904906

SCHEMBL9904906

Cc1cc(CNC(=O)c2nc3n(c(=O)c2O)CC2(C(=O)N4CC[C@H](F)C4)CCC3(NC(=O)C(=O)N(C)C)CC2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.37
MMP13 P45452 5/20 0.33
GRIN2B Q13224 1/20 0.32
MYC P01106 3/20 0.31
WDR5 P61964 3/20 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
SCHEMBL14234298 0.91 CYP2C9 (0.43) CYP2C9KCNH2MMP13
SCHEMBL9904767 0.90 CYP2C9 (0.39) CYP2C9KCNH2MMP13GRIN2BMYC
SCHEMBL9904986 0.88 CYP2C9 (0.41) CYP2C9KCNH2MMP13
SCHEMBL9942977 0.88 CYP2C9 (0.41) CYP2C9KCNH2MMP13
SCHEMBL9942894 0.88 CYP2C9 (0.42) CYP2C9KCNH2MMP13GRIN2B
SCHEMBL9904890 0.87 CYP2C9 (0.41) CYP2C9KCNH2MMP13
SCHEMBL14212658 0.86 CYP2C9 (0.40) CYP2C9KCNH2MMP13
SCHEMBL9942950 0.86 CYP2C9 (0.40) CYP2C9KCNH2MMP13
SCHEMBL9942891 0.85 CYP2C9 (0.40) CYP2C9KCNH2MMP13
SCHEMBL9901256 0.85 CYP2C9 (0.42) CYP2C9KCNH2MMP13WDR5

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 9 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
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 3969/4885MMP13 4137/4885

“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.