SCHEMBL478994

SCHEMBL478994

COC(=O)Nc1ccc(-c2cc([C@@H](N)Cc3ccccc3)nnc2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 16/20 0.41
KLKB1 P03952 2/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
F9 P00740 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CIT O14578 1/20 0.37

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
SCHEMBL478997 1.00 F11 (0.41) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478708 0.86 F11 (0.51) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478707 0.86 F11 (0.51) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478937 0.85 F11 (0.51) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478836 0.85 F11 (0.52) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478938 0.85 F11 (0.51) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478961 0.84 F11 (0.46) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478893 0.84 F11 (0.42) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478894 0.84 F11 (0.42) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478962 0.84 F11 (0.46) F11KLKB1PRSS1PRSS2PRSS3

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 1/4885KLKB1 17/4885PRSS1 37/4885

“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.