SCHEMBL479060

SCHEMBL479060

COC(=O)Nc1ccc(-c2cc(C(N)Cc3ccccc3)cnn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 14/20 0.51
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KLKB1 P03952 3/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
F10 P00742 2/20 0.41
PLG P00747 2/20 0.41
PROC P04070 2/20 0.41
F2 P00734 1/20 0.41
F9 P00740 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
F7 P08709 1/20 0.41
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 1/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 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
SCHEMBL3414366 0.90 F11 (0.44) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL479102 0.82 F11 (0.51) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL479101 0.82 F11 (0.51) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL478787 0.80 F11 (0.52) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL478707 0.77 F11 (0.51) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL478708 0.77 F11 (0.51) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL3413549 0.76 F11 (0.42) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL1197260 0.76 SMN1; SMN2 (0.44) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL478865 0.76 F11 (0.52) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL1196058 0.74 F11 (0.62) F11NPC1RAB9ASMN1; SMN2KLKB1

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
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US disclosed
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 WO 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-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 F11 1/4885NPC1 3955/4885RAB9A 3597/4885

“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.