SCHEMBL6073947

SCHEMBL6073947

CCNc1ncc2n(c1=O)C(C(=O)O)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 4/20 0.34
CASP1 P29466 4/20 0.34
CASP7 P55210 4/20 0.34
HSD17B10 Q99714 4/20 0.34
CLK4 Q9HAZ1 3/20 0.34
MAPK1 P28482 2/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
PREP P48147 4/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
F2 P00734 3/20 0.32
F7 P08709 2/20 0.32
F3 P13726 2/20 0.32
HCAR3 P49019 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL31486475 0.83 PREP (0.43) MAPK1PREPNPC1RAB9AF2
SCHEMBL31486384 0.83 MAPK14 (0.35) ACEPREPF2
SCHEMBL31486288 0.81 TTK (0.38) MAPK1HIF1A
SCHEMBL7995908 0.81 F2 (0.48) PREPF2F7F3
SCHEMBL6734250 0.81 F2 (0.44) F2
SCHEMBL6073838 0.80 ALDH1A1 (0.40) ACEALDH1A1CYP1A2CASP1CASP7
SCHEMBL7995911 0.79 TP53 (0.40) ALDH1A1HSD17B10TSHR
SCHEMBL31486619 0.79 MAPK14 (0.45) ALDH1A1
SCHEMBL31486546 0.79 RPS6KB1 (0.39) PREP
SCHEMBL31486261 0.78 MAPK14 (0.37) ALDH1A1CYP1A2CASP1CASP7HSD17B10

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-7037911-B2 Amino-bicyclic pyrazinones and pyridinones as coagulation serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 US disclosed
US-20050038030-A1 Amino-bicyclic pyrazinones and pyridinones as coagulation serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-02-17 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-20050038030-A1 Amino-bicyclic pyrazinones and pyridinones as coagulation serine protease inhibitors TFPI, F5, F2 ACE 78/4885ALDH1A1 2757/4885CYP1A2 651/4885

“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.