SCHEMBL4401303

SCHEMBL4401303

CCCCN1CCn2c1nc(C(=O)NCc1ccc(F)cc1-n1cncn1)c(O)c2=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.36
KCNH2 Q12809 1/20 0.34
KCNT1 Q5JUK3 1/20 0.32
CYP3A4 P08684 2/20 0.32
MET P08581 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MAPK8 P45983 1/20 0.31
SCD O00767 1/20 0.31
TP53 P04637 1/20 0.30
F2 P00734 1/20 0.30
KCNE1 P15382 1/20 0.30
CCR1 P32246 1/20 0.30
KCNQ1 P51787 1/20 0.30
FSCN1 Q16658 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4393723 0.92 CYP2C9 (0.36) CYP2C9KCNH2KCNT1CYP3A4MET
SCHEMBL4398133 0.91 CYP2C9 (0.36) CYP2C9KCNH2CYP3A4METPDE10A
SCHEMBL4393800 0.87 CYP2C9 (0.35) CYP2C9KCNH2METPDE10AKCNE1
SCHEMBL4392728 0.86 CLPP (0.38) CYP2C9KCNH2KCNT1SCDTP53
SCHEMBL4397223 0.85 CYP2C9 (0.37) CYP2C9KCNH2F2
SCHEMBL4395092 0.83 CYP2C9 (0.39) CYP2C9KCNH2METPDE10ASCD
SCHEMBL4397400 0.83 MAPK8 (0.36) CYP2C9KCNH2KCNT1CYP3A4MAPK8
SCHEMBL4399776 0.82 CYP2C9 (0.40) CYP2C9KCNH2
SCHEMBL1381752 0.80 CYP2C9 (0.38) CYP2C9KCNH2KCNT1CYP3A4F2
SCHEMBL4832837 0.80 CYP2C9 (0.37) CYP2C9KCNH2CYP3A4METF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919921-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-06-27 EP claimed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 US claimed
EP-1919921-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-05-14 EP claimed
WO-2007027754-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-08 WO claimed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US claimed
EP-1919921-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-06-27 EP disclosed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 US disclosed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 US disclosed
WO-2007027754-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-08 WO disclosed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors CCNI, APOBEC3C, CDKN1A CYP2C9 247/4885KCNH2 2989/4885KCNT1 2647/4885

“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.