SCHEMBL3175017

SCHEMBL3175017

Nc1n[nH]c2cc(-c3cc(O)cc(C(N)Cc4ccccc4)c3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.53
SGK1 O00141 2/20 0.49
F11 P03951 8/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
PDPK1 O15530 5/20 0.45
AURKA O14965 1/20 0.44
TGFBR1 P36897 1/20 0.44
AURKB Q96GD4 1/20 0.44
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
KLKB1 P03952 1/20 0.43
FGFR1 P11362 2/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42

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
SCHEMBL3174554 0.89 JAK2 (0.56) JAK2SGK1F11MKNK1MKNK2
SCHEMBL3169617 0.87 JAK2 (0.53) JAK2SGK1F11MKNK1MKNK2
SCHEMBL3168957 0.87 JAK2 (0.53) JAK2SGK1F11MKNK1MKNK2
SCHEMBL3168797 0.86 JAK2 (0.62) JAK2SGK1F11MKNK1MKNK2
SCHEMBL3177340 0.86 JAK2 (0.62) JAK2SGK1F11MKNK1MKNK2
SCHEMBL3173840 0.86 JAK2 (0.62) JAK2SGK1F11MKNK1MKNK2
SCHEMBL3174143 0.86 JAK2 (0.52) JAK2SGK1F11MKNK1MKNK2
SCHEMBL3173800 0.82 JAK2 (0.56) JAK2SGK1F11MKNK1MKNK2
SCHEMBL3172981 0.81 JAK2 (0.49) JAK2SGK1F11MKNK1MKNK2
SCHEMBL13524491 0.78 JAK2 (0.52) JAK2PDPK1AURKATGFBR1AURKB

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 909/4885F11 5/4885
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 JAK2 485/4885SGK1 909/4885F11 5/4885

“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.