SCHEMBL18230019

SCHEMBL18230019

Cn1cnc(-c2ccncc2[N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2E1 P05181 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2B6 P20813 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 5/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ KDM2B Q8NHM5 1/20 0.37
▸ PHF8 Q9UPP1 1/20 0.37
▸ HTT P42858 4/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAP3K7 O43318 1/20 0.36
▸ TAB1 Q15750 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL20379635 0.76 MAOA (0.37) CYP2C9CYP2C19MAPTALDH1A1HTT
SCHEMBL28913472 0.74 ALDH1A1 (0.49) CYP2A6CYP2C9MAPTALDH1A1HTT
SCHEMBL18230128 0.74 CYP2E1 (0.53) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL22634571 0.72 CYP2C9 (0.44) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL29397913 0.72 CYP2C9 (0.44) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL17476765 0.71 MAPT (0.58) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL18810582 0.71 CYP2A6 (0.53) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL25313829 0.70 TDP1 (0.46) MAPTALDH1A1LRRK2HTTGAA
SCHEMBL3782420 0.70 MAPK8 (0.44) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL2672411 0.68 ALDH1A1 (0.56) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 — — US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 — — US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 — — US disclosed
EP-3294728-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 — — EP disclosed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 — — WO disclosed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 — — WO 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-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 CYP2E1 849/4885CYP2A6 1333/4885CYP2C9 3770/4885

“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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