SCHEMBL7100154

SCHEMBL7100154

Cn1c(C(N)c2ccc(C#N)cc2)nc2cc(C(C)(Cc3nnn[nH]3)C(=O)N3CCCC3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.35
F10 P00742 5/20 0.35
PLG P00747 2/20 0.35
KDM1A O60341 1/20 0.31
ITK Q08881 2/20 0.31
DPP7 Q9UHL4 1/20 0.31
AURKA O14965 1/20 0.30
MAP4K4 O95819 1/20 0.30
CHEK2 O96017 1/20 0.30
PRKCG P05129 1/20 0.30
PHKG2 P15735 1/20 0.30
MARK3 P27448 1/20 0.30
FLT3 P36888 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30
CLK2 P49760 1/20 0.30
GSK3B P49841 1/20 0.30
IRAK1 P51617 1/20 0.30
RPS6KA3 P51812 1/20 0.30
NEK4 P51957 1/20 0.30

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
SCHEMBL7098363 0.88 F2 (0.48) F2F10PLG
SCHEMBL7096708 0.86 F2 (0.40) F2F10PLGKDM1AITK
SCHEMBL7100157 0.83 F2 (0.50) F2F10PLG
SCHEMBL7413176 0.82 F2 (0.40) F2F10PLGKDM1AITK
SCHEMBL7101549 0.78 F2 (0.38) F2F10PLGITKDPP7
SCHEMBL7417175 0.77 F2 (0.36) F2F10PLGKDM1AITK
SCHEMBL7414747 0.77 F2 (0.37) F2F10PLGKDM1AITK
SCHEMBL7096731 0.77 F2 (0.37) F2F10PLGITKDPP7
SCHEMBL7415299 0.75 F2 (0.41) F2F10PLGITKDPP7
SCHEMBL7412684 0.75 F2 (0.35) F2F10PLGITKDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1244636-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC Boehringer Ingelheim Pharma KG (DE) 2002-10-02 EP 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
WO-2001047896-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO 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 270/4885PLG 17/4885
US-20010006977-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 F2 13/4885F10 270/4885PLG 17/4885

“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.