SCHEMBL3175725

SCHEMBL3175725

COc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1C(N)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.52
▸ SGK1 O00141 2/20 0.48
▸ MKNK1 Q9BUB5 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ CHEK1 O14757 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CCND3 P30281 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ PDPK1 O15530 6/20 0.44
▸ AURKA O14965 2/20 0.43
▸ TGFBR1 P36897 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ F11 P03951 7/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ SCN9A Q15858 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
SCHEMBL3167148 0.84 JAK2 (0.46) JAK2SGK1MKNK1MKNK2CHEK1
SCHEMBL3173800 0.83 JAK2 (0.56) JAK2SGK1MKNK1MKNK2CHEK1
SCHEMBL13524497 0.80 JAK2 (0.52) JAK2CHEK1FGFR1CDK4CCNA2
SCHEMBL3177340 0.78 JAK2 (0.62) JAK2SGK1MKNK1MKNK2PDPK1
SCHEMBL3173840 0.78 JAK2 (0.62) JAK2SGK1MKNK1MKNK2PDPK1
SCHEMBL3168797 0.78 JAK2 (0.62) JAK2SGK1MKNK1MKNK2PDPK1
SCHEMBL3166849 0.78 JAK2 (0.49) JAK2SGK1MKNK1MKNK2FGFR1
SCHEMBL3169617 0.77 JAK2 (0.53) JAK2SGK1MKNK1MKNK2PDPK1
SCHEMBL4798617 0.76 F11 (0.57) JAK2SGK1MKNK1MKNK2CDK2
SCHEMBL3174554 0.76 JAK2 (0.56) JAK2SGK1MKNK1MKNK2PDPK1

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 JAK2 485/4885SGK1 909/4885MKNK1 927/4885
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 JAK2 485/4885SGK1 909/4885MKNK1 927/4885

“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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