SCHEMBL392809

SCHEMBL392809

Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c(Cl)[nH]2)cc1

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F11 P03951 19/20 0.88
PRSS1 P07477 4/20 0.88
PRSS2 P07478 4/20 0.88
PRSS3 P35030 4/20 0.88
KLKB1 P03952 8/20 0.66
F7 P08709 3/20 0.66
KLK1 P06870 3/20 0.66
F10 P00742 2/20 0.66
F12 P00748 2/20 0.66
PLG P00747 1/20 0.66
PLAT P00750 1/20 0.58
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51

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
SCHEMBL27692584 1.00 F11 (0.88) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL392725 0.93 F11 (1.00) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1281251 0.93 F11 (1.00) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL392648 0.93 F11 (0.89) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL392647 0.93 F11 (0.89) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL394113 0.92 F11 (0.88) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL393834 0.92 F11 (0.88) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1282027 0.91 F11 (0.92) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1282029 0.91 F11 (0.92) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1281807 0.90 F11 (0.84) F11PRSS1PRSS2PRSS3KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US claimed
CN-101006063-B Five-membered heterocycles useful as serine protease inhibitors. BRISTOL MYERS SQUIBB CO 2013-07-17 CN claimed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US claimed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US claimed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US claimed
CN-101006063-A Five-membered heterocycles useful as serine protease inhibitors. BRISTOL MYERS SQUIBB CO (US) 2007-07-25 CN claimed
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 claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 F11 2/4885PRSS1 19/4885PRSS2 54/4885
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 F11 2/4885PRSS1 19/4885PRSS2 54/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 F11 2/4885PRSS1 19/4885PRSS2 54/4885
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 F11 1/4885PRSS1 20/4885PRSS2 47/4885

“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.