Sugi Predict

Sugi Predict / Compounds / SCHEMBL9901113

SCHEMBL9901113

SCHEMBL9901113

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MMP13 P45452 10/20 0.36
▸ SCD O00767 1/20 0.33
▸ MMP10 P09238 5/20 0.32
▸ MMP8 P22894 5/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ KCNE1 P15382 1/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ KCNQ1 P51787 1/20 0.31
▸ MYC P01106 1/20 0.30
▸ WDR5 P61964 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ CACNA1G O43497 1/20 0.30
▸ CACNA1H O95180 1/20 0.30
▸ CACNA1I Q9P0X4 1/20 0.30
▸ S1PR3 Q99500 1/20 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
SCHEMBL9901158 0.93 CYP2C9 (0.44) KCNH2CYP2C9MMP13SCDMMP10
SCHEMBL9901392 0.91 CYP2C9 (0.37) KCNH2CYP2C9MMP13SCDMMP10
SCHEMBL9904932 0.90 MMP13 (0.39) KCNH2CYP2C9MMP13SCDMMP10
SCHEMBL9901114 0.89 KCNH2 (0.37) KCNH2CYP2C9MMP13SCDMMP10
SCHEMBL9901145 0.88 CYP2C9 (0.36) KCNH2CYP2C9MMP13SCDMMP10
SCHEMBL9901738 0.88 KCNH2 (0.37) KCNH2CYP2C9MMP13SCDMMP10
SCHEMBL9943015 0.85 CYP2C9 (0.44) KCNH2CYP2C9MMP13SCDMMP10
SCHEMBL9904916 0.85 CYP2C9 (0.40) KCNH2CYP2C9MMP13SCDMMP10
SCHEMBL9901792 0.84 CYP2C9 (0.44) KCNH2CYP2C9MMP13SCDKCNE1
SCHEMBL9904901 0.84 MMP13 (0.37) KCNH2CYP2C9MMP13SCDMMP10

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 12 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
EP-2649077-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-10-16 — — EP 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
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 KCNH2 3969/4885CYP2C9 602/4885MMP13 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.