SCHEMBL4246766

SCHEMBL4246766

C[Si](C)(C)CCOCn1cc(Br)c2c(Oc3ccc(N)cc3F)ccnc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.38
DGAT1 O75907 3/20 0.35
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
ROCK2 O75116 1/20 0.30
CYP3A4 P08684 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
SCHEMBL29821567 0.90 ROCK2 (0.36) DGAT1ALOX5APFEN1ROCK2
SCHEMBL20587522 0.90 ROCK2 (0.36) DGAT1ALOX5APFEN1ROCK2
SCHEMBL29822120 0.87 AXL (0.37) AXLDGAT1ALOX5APFEN1
SCHEMBL20589155 0.87 AXL (0.37) AXLDGAT1ALOX5APFEN1
SCHEMBL4248870 0.85 S1PR4 (0.38) DGAT1
SCHEMBL30173497 0.82 DGAT1 (0.33) DGAT1ALOX5APFEN1
SCHEMBL25793370 0.81 DGAT1 (0.37) DGAT1
SCHEMBL20588360 0.81 DGAT1 (0.35) DGAT1ALOX5APFEN1
SCHEMBL21632538 0.80 DGAT1 (0.45) DGAT1ALOX5APFEN1
SCHEMBL20589206 0.79 DGAT1 (0.37) DGAT1ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761268-A4 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-07-08 EP disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
EP-1761268-A2 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-03-14 EP disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
WO-2006004833-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 WO disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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 (3 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 AXL 452/4885DGAT1 3798/4885ALOX5AP 4670/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 AXL 880/4885DGAT1 3356/4885ALOX5AP 2755/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 AXL 452/4885DGAT1 3798/4885ALOX5AP 4670/4885

“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.