SCHEMBL3159703

SCHEMBL3159703

N#Cc1ccc(-c2cccc(C(N)Cc3ccccc3)c2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 17/20 0.50
CYP11B2 P19099 17/20 0.50
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39

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
SCHEMBL4809958 0.80 CYP11B1 (0.47) CYP11B1CYP11B2PRKACA
SCHEMBL3159983 0.79 TAAR1 (0.48)
SCHEMBL2332730 0.78 CYP11B2 (0.43) CYP11B1CYP11B2
SCHEMBL3166049 0.78 CTSD (0.44) CYP11B1CYP11B2
SCHEMBL14219369 0.77 CYP11B1 (0.52) CYP11B1CYP11B2
SCHEMBL14219545 0.77 CYP11B1 (0.52) CYP11B1CYP11B2
SCHEMBL30132416 0.76 CYP11B1 (0.78) CYP11B1CYP11B2
SCHEMBL1514257 0.76 CYP11B1 (0.78) CYP11B1CYP11B2
SCHEMBL8240319 0.75 CYP11B2 (0.49) CYP11B1CYP11B2
SCHEMBL3165716 0.75 TUBB4A (0.44) CYP11B1CYP11B2

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
EP-1841504-B1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
US-7645799-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-05 US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 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 (2 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-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors TFPI, F3, F12 CYP11B1 1182/4885CYP11B2 1361/4885PRKACA 1003/4885
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 CYP11B1 1182/4885CYP11B2 1361/4885PRKACA 1003/4885

“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.