SCHEMBL5438693

SCHEMBL5438693

COC1CCC(NC(=O)c2ccc(-n3ccncc3=O)cc2)C(N)C1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.55
MAPK14 Q16539 1/20 0.46
RIPK2 O43353 1/20 0.38

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
SCHEMBL5432892 0.93 F10 (0.53) F10MAPK14RIPK2
SCHEMBL5438685 0.89 F10 (0.51) F10MAPK14RIPK2
SCHEMBL5432887 0.87 F10 (0.52) F10MAPK14
SCHEMBL5430389 0.85 F10 (0.64) F10
SCHEMBL4745796 0.84 F10 (0.67) F10MAPK14
SCHEMBL4744214 0.82 F10 (0.64) F10MAPK14
SCHEMBL5432173 0.79 F10 (0.54) F10MAPK14
SCHEMBL5445804 0.78 F10 (0.56) F10MAPK14
SCHEMBL4687856 0.78 F10 (0.54) F10MAPK14
SCHEMBL5435349 0.78 F10 (0.62) F10

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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD F10 53/4885MAPK14 2758/4885RIPK2 1713/4885

“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.