SCHEMBL5537207

SCHEMBL5537207

Cc1cc(CNC(=O)c2nc3n(c(=O)c2O)CC(=O)N(C)N3C)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.46
KCNH2 Q12809 1/20 0.40
CYP2C9 P11712 1/20 0.40
MMP10 P09238 5/20 0.39
MMP8 P22894 5/20 0.39
KCNE1 P15382 1/20 0.39
CCR1 P32246 1/20 0.39
KCNQ1 P51787 1/20 0.39
MMP9 P14780 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
SCD O00767 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL5547436 0.91 MMP13 (0.47) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL5540973 0.90 KCNH2 (0.40) MMP13KCNH2CYP2C9
SCHEMBL5540226 0.87 KCNH2 (0.51) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL5539446 0.86 MMP13 (0.44) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL5538200 0.86 MMP13 (0.44) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL5534072 0.85 MMP13 (0.42) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL4390352 0.85 MMP13 (0.47) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL5650530 0.85 CNR1 (0.43)
SCHEMBL5532098 0.84 MMP13 (0.45) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL5535512 0.83 MMP13 (0.44) MMP13KCNH2CYP2C9MMP10MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753767-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-21 EP claimed
WO-2005118589-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO claimed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US claimed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US 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-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TOP1, APOBEC3C MMP13 4087/4885KCNH2 3080/4885CYP2C9 237/4885

“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.