SCHEMBL62253

SCHEMBL62253

Cc1cc(CNC(=O)c2nc3n(c(=O)c2O)CC2CCC3(NC(=O)c3ccncc3)CC2)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.37
KCNH2 Q12809 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP10 P09238 3/20 0.34
MMP8 P22894 3/20 0.34
MMP9 P14780 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
WDR5 P61964 1/20 0.33
TLR2 O60603 1/20 0.32
TP53 P04637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL64216 0.92 HCRTR1 (0.39) MMP13KCNH2CYP2C9HCRTR1HCRTR2
SCHEMBL52520 0.89 L3MBTL1 (0.47) KCNH2CYP2C9L3MBTL1TP53
SCHEMBL64242 0.89 MMP13 (0.39) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL64434 0.88 MMP13 (0.38) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL64237 0.88 MMP13 (0.40) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL63858 0.87 MMP13 (0.37) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL52059 0.87 CYP2C9 (0.45) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL63443 0.86 KCNH2 (0.38) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL63887 0.86 MMP13 (0.37) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL63867 0.86 NAMPT (0.40) MMP13KCNH2CYP2C9L3MBTL1HCRTR1

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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG MMP13 4137/4885KCNH2 3969/4885CYP2C9 602/4885

“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.