SCHEMBL13524511

SCHEMBL13524511

CC(C)c1cccc(-c2ccc3c(N)n[nH]c3c2)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 11/20 0.51
▸ JAK2 O60674 3/20 0.50
▸ AURKA O14965 5/20 0.49
▸ TGFBR1 P36897 5/20 0.49
▸ AURKB Q96GD4 5/20 0.49
▸ SCN5A Q14524 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ JAK3 P52333 3/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ ROCK1 Q13464 2/20 0.43
▸ KDR P35968 4/20 0.43
▸ PTPN5 P54829 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ CHUK O15111 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ MAP3K5 Q99683 1/20 0.41

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
SCHEMBL13525177 0.83 PDPK1 (0.55) PDPK1JAK2AURKATGFBR1AURKB
SCHEMBL3166849 0.80 JAK2 (0.49) PDPK1JAK2AURKATGFBR1AURKB
SCHEMBL13524490 0.79 JAK2 (0.55) PDPK1JAK2AURKATGFBR1AURKB
SCHEMBL12907193 0.76 JAK2 (0.64) PDPK1JAK2AURKATGFBR1AURKB
SCHEMBL13524506 0.75 PDPK1 (0.50) PDPK1JAK2AURKATGFBR1AURKB
SCHEMBL13524469 0.74 PDPK1 (0.66) PDPK1JAK2AURKATGFBR1AURKB
SCHEMBL13524497 0.74 JAK2 (0.52) PDPK1JAK2AURKATGFBR1AURKB
SCHEMBL12907205 0.74 JAK2 (0.64) PDPK1JAK2AURKATGFBR1AURKB
SCHEMBL10356131 0.73 GABRA1 (0.67) PTPN5
SCHEMBL4496544 0.73 PDPK1 (0.64) PDPK1JAK2AURKATGFBR1AURKB

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 PDPK1 1904/4885JAK2 485/4885AURKA 543/4885

“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.

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