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SCHEMBL9905090

SCHEMBL9905090

CN(C(=O)C(=O)N1CC[C@@H](F)C1)C12CCC(F)(CC1)Cn1c2nc(C(=O)NCc2ccc(F)c(Cl)c2)c(O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ MMP13 P45452 2/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ CXCR3 P49682 4/20 0.33
▸ POLB P06746 1/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ MYC P01106 2/20 0.30
▸ WDR5 P61964 2/20 0.30

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
SCHEMBL9904916 0.93 CYP2C9 (0.40) CYP2C9KCNH2MMP13MYCWDR5
SCHEMBL9942910 0.91 CYP2C9 (0.48) CYP2C9KCNH2
SCHEMBL9901792 0.88 CYP2C9 (0.44) CYP2C9KCNH2MMP13DGAT1CXCR3
SCHEMBL9905094 0.85 KCNH2 (0.34) CYP2C9KCNH2MMP13DGAT1CXCR3
SCHEMBL52304 0.83 CYP2C9 (0.40) CYP2C9KCNH2MMP13MYCWDR5
SCHEMBL52047 0.81 CYP2C9 (0.49) CYP2C9KCNH2MAPK1
SCHEMBL52498 0.80 CYP2C9 (0.47) CYP2C9KCNH2MMP13DGAT1CXCR3
SCHEMBL9901158 0.80 CYP2C9 (0.44) CYP2C9KCNH2MMP13WDR5
SCHEMBL9905000 0.79 KCNH2 (0.36) CYP2C9KCNH2MMP13MYCWDR5
SCHEMBL9901778 0.79 CYP2C9 (0.42) CYP2C9KCNH2MMP13DGAT1MAPK1

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 3969/4885MMP13 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.