SCHEMBL6390451

SCHEMBL6390451

N=C1NCCN1c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C(N)=O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.61
F9 P00740 11/20 0.61
F2 P00734 3/20 0.54
PRSS1 P07477 3/20 0.54
PRSS2 P07478 3/20 0.54
PRSS3 P35030 3/20 0.54
KLKB1 P03952 4/20 0.51
CARM1 Q86X55 2/20 0.47

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
SCHEMBL6390086 0.89 F10 (0.53) F10F9F2PRSS1PRSS2
SCHEMBL5698221 0.86 F10 (0.47) F10F9F2PRSS1PRSS2
SCHEMBL6396162 0.86 F10 (0.54) F10F9F2PRSS1PRSS2
SCHEMBL6396166 0.86 F10 (0.54) F10F9F2PRSS1PRSS2
SCHEMBL6390063 0.85 F10 (0.60) F10F9F2PRSS1PRSS2
SCHEMBL6390740 0.83 F10 (0.59) F10F9F2PRSS1PRSS2
SCHEMBL6391329 0.79 F10 (0.61) F10F9F2PRSS1PRSS2
SCHEMBL6390603 0.79 F10 (0.60) F10F9F2PRSS1PRSS2
SCHEMBL6392518 0.78 F10 (0.53) F10F9F2PRSS1PRSS2
SCHEMBL6392516 0.78 F10 (0.53) F10F9F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203127-A1 2-(Phenyl)-2h-pyrazole-3-carboxylic acid-n-4-(thioxo-heterocyclyl)-phenyl-amide derivatives and corresponding imino-heterocyclyl derivatives and relates compounds for use as inhibitors of the coagulation factors xa and/or viia for treating thromboses MERCK PATENT GMBH (DE) 2005-09-15 US claimed
US-20050203127-A1 2-(Phenyl)-2h-pyrazole-3-carboxylic acid-n-4-(thioxo-heterocyclyl)-phenyl-amide derivatives and corresponding imino-heterocyclyl derivatives and relates compounds for use as inhibitors of the coagulation factors xa and/or viia for treating thromboses MERCK PATENT GMBH (DE) 2005-09-15 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-20050203127-A1 2-(Phenyl)-2h-pyrazole-3-carboxylic acid-n-4-(thioxo-heterocyclyl)-phenyl-amide derivatives and corresponding imino-heterocyclyl derivatives and relates compounds for use as inhibitors of the coagulation factors xa and/or viia for treating thromboses F11, F12, F2 F10 9/4885F9 5/4885F2 3/4885

“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.