SCHEMBL7096902

SCHEMBL7096902

Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(C)(NCc3nnn[nH]3)C(=O)N3CCCC3)ccc21

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.76
F10 P00742 7/20 0.76
PRSS1 P07477 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
PLG P00747 3/20 0.47
KLK1 P06870 1/20 0.46
KLK5 Q9Y337 1/20 0.46
SLC22A2 O15244 1/20 0.43
PLAT P00750 1/20 0.43
PROC P04070 1/20 0.43
HPN P05981 1/20 0.43
NQO2 P16083 1/20 0.43
SLC47A2 Q86VL8 1/20 0.43
SLC47A1 Q96FL8 1/20 0.43

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
SCHEMBL7102490 1.00 F2 (0.76) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7410898 0.99 F2 (0.75) F2F10PRSS1PRSS2PRSS3
SCHEMBL7098365 0.89 F2 (0.66) F2F10PRSS1PRSS2PRSS3
SCHEMBL7097359 0.89 F2 (0.63) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7104013 0.89 F2 (0.65) F2F10PRSS1PRSS2PRSS3
Tanogitran SCHEMBL29456575 0.87 F2 (1.00) F2F10PRSS1PRSS2PRSS3
Tanogitran SCHEMBL2471738 0.87 F2 (1.00) F2F10PRSS1PRSS2PRSS3
Tanogitran SCHEMBL2989514 0.87 F2 (1.00) F2F10PRSS1PRSS2PRSS3
Tanogitran SCHEMBL4937696 0.86 F2 (0.98) F2F10PRSS1PRSS2PRSS3
Tanogitran SCHEMBL7417719 0.86 F2 (0.98) F2F10PRSS1PRSS2PRSS3

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-20010006977-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2001-07-05 US claimed
US-6593355-B2 2-phenylaminomethyl benzimidazole derivatives BOEHRINGER INGELEHIM PHARMA KG (DE) 2003-07-15 US disclosed
US-20030004356-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-02 US disclosed
US-6451832-B2 E.G., 2-(AMINDINOPHENYLAMINOMETHYL)-1-METHYL-5-(1-(ETHOXY-CARBONYL-METHYLAMINO)-1 -(2,5-DIHYDROPYRROLOCARBONYL)-ETHYL)BENZIMIDAZOLE; ANTICOAGULANTS AND ANTITHROMBOLYTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-09-17 US disclosed
US-20010006977-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2001-07-05 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-20030004356-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 F2 13/4885F10 270/4885PRSS1 271/4885
US-20010006977-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 F2 13/4885F10 270/4885PRSS1 271/4885

“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.