SCHEMBL18810582

SCHEMBL18810582

Cn1cnc(-c2cnccc2C=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.53
▸ CYP2E1 P05181 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2B6 P20813 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ MAPT P10636 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.39
▸ MAP3K7 O43318 1/20 0.38
▸ TAB1 Q15750 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.36
▸ PHF8 Q9UPP1 1/20 0.36
▸ EGFR P00533 2/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CCNC P24863 3/20 0.33
▸ CDK8 P49336 3/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ GRM5 P41594 1/20 0.32

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
SCHEMBL20102297 0.80 CYP2E1 (0.45) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL20102298 0.76 KDM4E (0.44) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL20102295 0.76 TDP1 (0.43) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL17688331 0.74 ENPP2 (0.41) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL18810580 0.74 CYP2E1 (0.39) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL18230128 0.73 CYP2E1 (0.53) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL20102299 0.73 ERN1 (0.41) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL23093177 0.72 ERN1 (0.42) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL29681568 0.71 CCNT1 (0.42) CYP2A6CCNCCDK8CCNT1CDK9
SCHEMBL19386588 0.71 CYP2C9 (0.50) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19

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-20170121325-A1 FUSED IMIDAZOLE DERIVATIVES AS IDO/TDO INHIBITORS FELIQS CORPORATION (JP) 2017-05-04 — — 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-20170121325-A1 FUSED IMIDAZOLE DERIVATIVES AS IDO/TDO INHIBITORS IDO1, IDO2, TDO2 CYP2A6 589/4885CYP2E1 64/4885CYP2C9 254/4885

“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.

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