SCHEMBL13525173

SCHEMBL13525173

Cc1cc(-c2ccc3c(N)noc3c2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.45
▸ F9 P00740 1/20 0.40
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ KDR P35968 5/20 0.39
▸ CSF1R P07333 4/20 0.39
▸ FLT3 P36888 4/20 0.39
▸ MAP4K4 O95819 3/20 0.39
▸ NTRK1 P04629 3/20 0.39
▸ PIM1 P11309 3/20 0.39
▸ FGFR1 P11362 3/20 0.39
▸ GSK3B P49841 3/20 0.39
▸ MAP4K2 Q12851 3/20 0.39
▸ ROCK1 Q13464 3/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.39
▸ AURKA O14965 2/20 0.39
▸ PRKD3 O94806 2/20 0.39
▸ RET P07949 2/20 0.39
▸ FLT1 P17948 2/20 0.39
▸ CLK2 P49760 2/20 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
SCHEMBL15638535 0.83 TGFBR1 (0.44) MAPK14F9ESR1ESR2KDR
SCHEMBL13524513 0.81 MAPK14 (0.38) MAPK14F9ESR1ESR2KDR
SCHEMBL8257929 0.77 IDO1 (0.36) MAPK14F9ESR1ESR2KDR
SCHEMBL13414103 0.77 IDO1 (0.36) MAPK14F9ESR1ESR2KDR
SCHEMBL14072365 0.77 MAP4K4 (0.52) MAPK14F9MAP4K4CDK8DYRK1A
SCHEMBL13376464 0.77 MAP4K4 (0.58) MAPK14F9KDRCSF1RFLT3
SCHEMBL7072970 0.76 MAP4K4 (0.46) MAPK14F9ESR1ESR2KDR
SCHEMBL24427512 0.73 MAPK14 (0.39) MAPK14F9ESR1ESR2KDR
SCHEMBL24427251 0.73 MAPK14 (0.39) MAPK14F9ESR1ESR2KDR
SCHEMBL8233882 0.73 F9 (0.47) MAPK14F9ESR1ESR2KDR

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 MAPK14 830/4885F9 10/4885ESR1 2802/4885

“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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