SCHEMBL5247702

SCHEMBL5247702

c1ccc(-c2n[nH]c3nc4ccccc4nc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 3/20 0.46
▸ GFER P55789 1/20 0.46
▸ KDM4E B2RXH2 6/20 0.44
▸ GAA P10253 5/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPK10 P53779 2/20 0.44
▸ ALPL P05186 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ TTK P33981 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ CASP7 P55210 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ BRCA1 P38398 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44

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
SCHEMBL5251534 0.73 CYP1A2 (0.46) ALDH1A1MAPTKDM4EGAAHPGD
Quinoxaline1 SCHEMBL1394500 0.73 MAPT (0.52) ALDH1A1MAPTKDM4EGAAHPGD
Quinoxaline1 SCHEMBL29447180 0.73 MAPT (0.52) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL29382173 0.70 KDM4E (0.74) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL732131 0.70 KDM4E (0.74) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL4717637 0.69 ALDH1A1 (0.53) ALDH1A1MAPTGFERKDM4EGAA
SCHEMBL14015015 0.68 HTT (0.46) ALDH1A1MAPTGFERKDM4EGAA
SCHEMBL865711 0.68 KDM4E (0.71) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL28710728 0.68 KDM4E (0.71) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL13950894 0.68 KDM4E (0.78) ALDH1A1MAPTKDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 — — EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 — — WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 — — US disclosed
EP-1373270-B1 TRICYCLIC QUINOXALINE DERIVATIVES AS A UV FILTER MERCK PATENT GMBH (DE) 2007-06-06 — — EP disclosed
EP-1373270-B1 TRICYCLIC QUINOXALINE DERIVATIVES AS A UV FILTER MERCK PATENT GMBH (DE) 2007-06-06 — — EP disclosed
US-20060222607-A1 Tricyclic quinoxaline and quinoline derivatives as UV filters PFLUCKER FRANK 2006-10-05 — — US disclosed
US-7101537-B2 Tricyclic quinoxaline and quinoline derivatives as a UV filter MERCK PATENTGESELLSCHAFT (DE) 2006-09-05 — — 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 (2 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-20060222607-A1 Tricyclic quinoxaline and quinoline derivatives as UV filters RECQL, CUTA, NQO2 ALDH1A1 682/4885MAPT 2159/4885GFER 2482/4885
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 ALDH1A1 999/4885MAPT 4762/4885GFER 4057/4885

“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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