SCHEMBL20102295

SCHEMBL20102295

Cn1cnc(-c2cc(Cl)ccc2C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.43
▸ FBP1 P09467 1/20 0.40
▸ CYP2E1 P05181 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ERN1 O75460 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ KAT8 Q9H7Z6 2/20 0.35
▸ RIPK2 O43353 1/20 0.35
▸ TEAD1 P28347 1/20 0.35
▸ YAP1 P46937 1/20 0.35
▸ S100A4 P26447 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ FTO Q9C0B1 1/20 0.33

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
SCHEMBL20102299 0.88 ERN1 (0.41) TDP1FBP1CYP2E1CYP2A6CYP2C9
SCHEMBL20102298 0.82 KDM4E (0.44) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL20102297 0.80 CYP2E1 (0.45) TDP1CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL18810582 0.76 CYP2A6 (0.53) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL15498658 0.74 ENPP2 (0.38) TDP1CYP2C9CYP2C19ERN1
SCHEMBL15645626 0.72 METAP1 (0.49) TDP1ERN1S100A4
SCHEMBL23093177 0.72 ERN1 (0.42) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL31048522 0.72 FGFR3 (0.53) TDP1ERN1LRRK2FGFR3KDR
SCHEMBL15646149 0.70 ALDH1A1 (0.52) TDP1CYP2C19
SCHEMBL18613563 0.70 HTR2A (0.51) TDP1

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-20180118753-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2018-05-03 — — 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-20180118753-A1 IDO Inhibitors IDO1, IDO2, INMT TDP1 1271/4885FBP1 424/4885CYP2E1 567/4885

“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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