SCHEMBL5537848

SCHEMBL5537848

CNC(=O)c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CC(=O)N2C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 2/20 0.40
DPP4 P27487 3/20 0.37
FAP Q12884 1/20 0.36
MAPK1 P28482 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
MET P08581 1/20 0.35
KCNE1 P15382 1/20 0.35
CCR1 P32246 1/20 0.35
KCNQ1 P51787 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
P2RX7 Q99572 4/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5542241 0.91 CYP2C9 (0.42) CYP2C9KCNH2MAPK1LIPGMET
SCHEMBL4396394 0.86 CYP2C9 (0.42) CYP2C9KCNH2MAPK1LIPGMET
SCHEMBL5532693 0.85 EGLN1 (0.39) CYP2C9KCNH2P2RX7
SCHEMBL5643962 0.84 MAPT (0.37) DPP4SMN1; SMN2P2RX7POLB
SCHEMBL5537855 0.83 KCNH2 (0.54) CYP2C9KCNH2LIPGKCNE1CCR1
SCHEMBL4393763 0.82 CYP2C9 (0.40) CYP2C9KCNH2
SCHEMBL4398101 0.81 CYP2C9 (0.39) CYP2C9KCNH2MAPK1LIPGMET
SCHEMBL4395092 0.81 CYP2C9 (0.39) CYP2C9KCNH2MET
SCHEMBL5532945 0.81 GAA (0.48) CYP2C9KCNH2SMN1; SMN2
SCHEMBL4397947 0.80 CYP2C9 (0.39) CYP2C9KCNH2LIPGMETSMN1; SMN2

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
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
EP-1753767-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-21 EP disclosed
WO-2005118589-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO 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 CYP2C9 237/4885KCNH2 3080/4885DPP4 2516/4885

“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.