SCHEMBL9942908

SCHEMBL9942908

Cc1cc(CNC(=O)c2nc3n(c(=O)c2O)CC2(N4CCOCC4)CCC3(NC(=O)C(=O)N(C)C)CC2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.36
MMP13 P45452 5/20 0.34
PPARG P37231 1/20 0.32
EGLN1 Q9GZT9 2/20 0.31
MAPT P10636 1/20 0.31
MMP10 P09238 2/20 0.31
MMP8 P22894 2/20 0.31
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
LMNA P02545 1/20 0.30
ERCC1 P07992 1/20 0.30
FEN1 P39748 1/20 0.30
ERCC4 Q92889 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
SCHEMBL9943010 0.94 CYP2C9 (0.44) CYP2C9KCNH2MMP13MMP10MMP8
SCHEMBL14212587 0.94 CYP2C9 (0.43) CYP2C9KCNH2MMP13MMP10MMP8
SCHEMBL9942974 0.91 MMP13 (0.33) CYP2C9MMP13PPARGMAPTMMP10
SCHEMBL9942944 0.91 CYP2C9 (0.49) CYP2C9KCNH2EGLN1MAPTKCNE1
SCHEMBL9943111 0.91 CYP2C9 (0.39) CYP2C9KCNH2MMP13MMP10MMP8
SCHEMBL9904767 0.89 CYP2C9 (0.39) CYP2C9KCNH2MMP13PPARGMAPT
SCHEMBL9943037 0.89 CYP2C9 (0.39) CYP2C9KCNH2MMP13PPARGMAPT
SCHEMBL9943113 0.89 CYP2C9 (0.38) CYP2C9KCNH2MMP13MMP10MMP8
SCHEMBL9943082 0.89 CYP2C9 (0.42) CYP2C9KCNH2MMP13MYCWDR5
SCHEMBL9943061 0.88 CYP2C9 (0.42) CYP2C9KCNH2MMP13PPARGEGLN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.