SCHEMBL6738115

SCHEMBL6738115

O=C(NCc1cc2[nH]c(=O)[nH]c2cn1)[C@@H]1CCc2cnc(NCCc3ccccn3)c(=O)n21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.49
KMT2A Q03164 1/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL6738663 0.90 F2 (0.49) F2PRSS1
SCHEMBL6739800 0.87 F2 (0.49) F2KMT2APRSS1PRSS2PRSS3
SCHEMBL6735050 0.87 F2 (0.42) F2PRSS1
SCHEMBL6733312 0.84 F2 (0.46) F2PRSS1
SCHEMBL6733337 0.82 F2 (0.58) F2PRSS1PRSS2PRSS3
SCHEMBL6990916 0.81 F2 (0.63) F2PRSS1
Hydrochloric Acid SCHEMBL7990650 0.80 F2 (0.62) F2PRSS1
SCHEMBL6740598 0.80 F2 (0.46) F2PRSS1
SCHEMBL6738372 0.80 F2 (0.47) F2KMT2APRSS1
SCHEMBL6738751 0.79 F2 (0.40) F2KMT2APRSS1

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-6686358-B2 ANTICOAGULANTS; CARDOVISCULAR DISORDERS LES LABORATOIRES SERVIER (FR) 2004-02-03 US disclosed
US-20020111341-A1 Bicyclic amino-pyrazinone compounds LES LABORATOIRES SERVIER (FR) 2002-08-15 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-20020111341-A1 Bicyclic amino-pyrazinone compounds CTRL, PRSS3, PRSS1 F2 125/4885KMT2A 4255/4885PRSS1 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.