SCHEMBL7100607

SCHEMBL7100607

COC(=O)c1cn(Cc2ccc(C(=N)N)cc2)cc1Cc1cccc(C(=N)N)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.47
F2 P00734 8/20 0.44
PRSS1 P07477 4/20 0.44
KLKB1 P03952 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ADCY10 Q96PN6 1/20 0.41

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
SCHEMBL7107197 0.96 F10 (0.49) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6165898 0.93 F2 (0.44) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL6164807 0.90 F10 (0.45) F10F2
Trifluoroacetic Acid SCHEMBL7106453 0.89 F10 (0.45) F10F2PRSS1PRSS2PRSS3
SCHEMBL7104392 0.89 F10 (0.47) F10F2PRSS1KLKB1PRSS2
SCHEMBL6167843 0.87 PRSS1 (0.49) F10F2PRSS1KLKB1PRSS2
SCHEMBL7103092 0.86 F10 (0.53) F10F2PRSS1
SCHEMBL7100891 0.85 F10 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL7106309 0.84 F10 (0.56) F10F2PRSS1PRSS2PRSS3
SCHEMBL7107522 0.84 F10 (0.52) F10F2PRSS1KLKB1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 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 (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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI F10 11/4885F2 1/4885PRSS1 43/4885

“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.