SCHEMBL3165474

SCHEMBL3165474

N[C@@H](Cc1ccccc1)c1cccc(-c2ccc3[nH]nc(O)c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.46
F11 P03951 3/20 0.43
ROCK2 O75116 2/20 0.41
MKNK1 Q9BUB5 1/20 0.40
CDK2 P24941 7/20 0.40
CDK7 P50613 6/20 0.40
GSK3B P49841 2/20 0.40
CDC7 O00311 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
TTK P33981 1/20 0.40
AKT1 P31749 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
SCHEMBL4806392 0.82 F11 (0.51) JAK2F11ROCK2MKNK1CDK2
SCHEMBL3177340 0.81 JAK2 (0.62) JAK2F11MKNK1AURKBMKNK2
SCHEMBL3173840 0.81 JAK2 (0.62) JAK2F11MKNK1AURKBMKNK2
SCHEMBL3168797 0.81 JAK2 (0.62) JAK2F11MKNK1AURKBMKNK2
SCHEMBL13524667 0.77 RXRA (0.49) JAK2ROCK2MKNK1GSK3BKDR
SCHEMBL3159983 0.76 TAAR1 (0.48) F11
SCHEMBL3175017 0.73 JAK2 (0.53) JAK2F11MKNK1AURKBMKNK2
SCHEMBL3173784 0.73 MAP4K4 (0.51) F11MAP4K4PRKACA
SCHEMBL16189081 0.72 ATM (0.40) F11PRKACA
SCHEMBL16189246 0.71 ATM (0.39) F11ROCK2PRKACAAKT1

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 485/4885F11 5/4885ROCK2 658/4885
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 JAK2 485/4885F11 5/4885ROCK2 658/4885

“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.