Sugi Predict

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SCHEMBL9901170

SCHEMBL9901170

Cc1cc(CNC(=O)c2nc3n(c(=O)c2O)CC2(NC(=O)c4ccccn4)CCC3(NC(=O)C(=O)N(C)C)CC2)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.37
▸ MMP13 P45452 7/20 0.36
▸ GRM5 P41594 2/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ WDR5 P61964 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ MMP10 P09238 2/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ GRM4 Q14833 2/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 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
SCHEMBL14119141 0.90 CYP2C9 (0.41) CYP2C9MMP13KCNH2MMP10MMP8
SCHEMBL9905119 0.89 CYP2C9 (0.41) CYP2C9MMP13KCNH2MMP10MMP8
SCHEMBL9900677 0.89 CYP2C9 (0.41) CYP2C9MMP13KCNH2MMP10MMP8
SCHEMBL9943093 0.88 CYP2C9 (0.40) CYP2C9MMP13KCNH2MMP10MMP8
SCHEMBL9943034 0.87 CYP2C9 (0.40) CYP2C9MMP13WDR5KCNH2MMP10
SCHEMBL9943109 0.86 CYP2C9 (0.39) CYP2C9MMP13KCNH2MMP10MMP8
SCHEMBL9901037 0.86 CYP2C9 (0.39) CYP2C9MMP13KCNH2MMP10MMP8
SCHEMBL9942976 0.86 CYP2C9 (0.42) CYP2C9MMP13WDR5KCNH2MMP10
SCHEMBL9901256 0.86 CYP2C9 (0.42) CYP2C9MMP13WDR5KCNH2MMP10
SCHEMBL9942909 0.85 CYP2C9 (0.41) CYP2C9MMP13WDR5KCNH2MMP10

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 602/4885MMP13 4137/4885GRM5 4666/4885

“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.