SCHEMBL393106

SCHEMBL393106

N=C(N)c1cccc(NC(=O)C(Cc2ccccc2)c2nc(-c3ccccc3)c[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.51
F9 P00740 10/20 0.51
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
HPN P05981 1/20 0.40
HGFAC Q04756 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL395016 0.89 F9 (0.51) F10F9F2PRSS1PRSS2
SCHEMBL390032 0.89 F9 (0.55) F10F9F2PRSS1PRSS2
SCHEMBL392690 0.85 F9 (0.51) F10F9F2PRSS1PRSS2
SCHEMBL393253 0.85 F9 (0.51) F10F9F2PRSS1PRSS2
SCHEMBL17085046 0.82 BACE1 (0.46) F10F9F2PRSS1PRSS2
SCHEMBL394564 0.77 ROCK2 (0.54)
SCHEMBL393165 0.77 F9 (0.48) F10F9F2ST14
SCHEMBL393149 0.76 ITGB3 (0.50) F10F9F2PRSS1HPN
SCHEMBL395475 0.75 F2 (0.43) F10F2PRSS1PRSS2PRSS3
SCHEMBL395476 0.75 F2 (0.43) F10F2PRSS1PRSS2PRSS3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112936-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-30 US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
EP-1773786-B1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-17 US disclosed
US-9079860-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 US disclosed
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 US disclosed
CN-101006063-B Five-membered heterocycles useful as serine protease inhibitors. BRISTOL MYERS SQUIBB CO 2013-07-17 CN disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
CN-101006063-A Five-membered heterocycles useful as serine protease inhibitors. BRISTOL MYERS SQUIBB CO (US) 2007-07-25 CN disclosed
EP-1773786-A2 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
WO-2005123050-A2 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-29 WO disclosed
US-20050282805-A1 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY 2005-12-22 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 (7 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 F10 9/4885F9 12/4885F2 5/4885
US-10112936-B2 Five-membered heterocycles useful as serine protease inhibitors F12, F11, F5 F10 9/4885F9 12/4885F2 5/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 F10 9/4885F9 12/4885F2 5/4885
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 F10 9/4885F9 12/4885F2 5/4885
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 F10 9/4885F9 12/4885F2 5/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 F10 9/4885F9 12/4885F2 5/4885
US-20050282805-A1 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide F11, TFPI, F12 F10 8/4885F9 9/4885F2 4/4885

“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.