SCHEMBL13524475

SCHEMBL13524475

Cc1cc(-c2ccc3c(N)n[nH]c3c2)cc(C(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.54
PDPK1 O15530 15/20 0.52
TGFBR1 P36897 8/20 0.52
AURKA O14965 7/20 0.52
AURKB Q96GD4 7/20 0.52
ROCK1 Q13464 4/20 0.49
ABL1 P00519 3/20 0.47
BCR P11274 2/20 0.47
KDR P35968 2/20 0.44
CHUK O15111 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
SYK P43405 1/20 0.44
JAK3 P52333 1/20 0.44
MAP3K5 Q99683 1/20 0.44
PIK3CD O00329 1/20 0.43
EGFR P00533 1/20 0.43
HCK P08631 1/20 0.43
SRC P12931 1/20 0.43
PIK3CA P42336 1/20 0.43

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
SCHEMBL13524487 0.87 PDPK1 (0.60) JAK2PDPK1TGFBR1AURKAAURKB
SCHEMBL13986221 0.87 PDPK1 (0.66) JAK2PDPK1TGFBR1AURKAAURKB
SCHEMBL13524474 0.85 PDPK1 (0.53) JAK2PDPK1TGFBR1AURKAAURKB
SCHEMBL13524491 0.85 JAK2 (0.52) JAK2PDPK1TGFBR1AURKAAURKB
SCHEMBL13524469 0.83 PDPK1 (0.66) JAK2PDPK1TGFBR1AURKAAURKB
SCHEMBL13524482 0.83 JAK2 (0.50) JAK2PDPK1TGFBR1AURKAAURKB
SCHEMBL13525176 0.82 PDPK1 (0.65) JAK2PDPK1TGFBR1AURKAAURKB
SCHEMBL13986219 0.80 JAK2 (0.56) JAK2PDPK1TGFBR1AURKAAURKB
SCHEMBL13525152 0.80 PDPK1 (0.57) JAK2PDPK1TGFBR1AURKAAURKB
SCHEMBL3169617 0.80 JAK2 (0.53) JAK2PDPK1TGFBR1AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 JAK2 485/4885PDPK1 1904/4885TGFBR1 983/4885

“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.