SCHEMBL20102298

SCHEMBL20102298

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CASP6 P55212 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.39
▸ 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
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ KAT8 Q9H7Z6 1/20 0.35
▸ ERN1 O75460 1/20 0.35
▸ TEAD1 P28347 1/20 0.35

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
SCHEMBL20102295 0.82 TDP1 (0.43) LRRK2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL20102297 0.80 CYP2E1 (0.45) ALDH1A1CASP6LRRK2CYP2E1CYP2A6
SCHEMBL27186523 0.76 CCR1 (0.47) KDM4EALDH1A1CYP2A6IDO1TDO2
SCHEMBL18810582 0.76 CYP2A6 (0.53) CASP6LRRK2CYP2E1CYP2A6CYP2C9
SCHEMBL15498602 0.74 ENPP2 (0.41) KDM4EALDH1A1IDO1TDO2
SCHEMBL18181691 0.74 KDM4E (0.44) KDM4EALDH1A1IDO1TDO2ERN1
SCHEMBL799365 0.74 CASP6 (0.43) CASP6LRRK2CYP2E1CYP2A6CYP2C9
SCHEMBL20102299 0.73 ERN1 (0.41) KDM4EALDH1A1LRRK2CYP2E1CYP2A6
SCHEMBL20102296 0.73 HCRTR1 (0.43) CASP6LRRK2CYP2E1CYP2A6CYP2C9
SCHEMBL27900606 0.72 METAP1 (0.49) KDM4EALDH1A1CASP6ERN1

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 KDM4E 373/4885ALDH1A1 1338/4885CASP6 2811/4885

“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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