SCHEMBL430775

SCHEMBL430775

Cn1c(=O)[nH]c2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 1.00
ADORA2B P29275 2/20 1.00
ADORA2A P29274 1/20 1.00
ADORA1 P30542 1/20 1.00
ALDH1A1 P00352 5/20 0.61
CA12 O43570 1/20 0.61
RNASEH1 O60930 1/20 0.61
ERCC1 P07992 1/20 0.61
ERCC5 P28715 1/20 0.61
FEN1 P39748 1/20 0.61
CA9 Q16790 1/20 0.61
ERCC4 Q92889 1/20 0.61
CYP1A2 P05177 1/20 0.61
ALOX5 P09917 1/20 0.55
KDM4E B2RXH2 4/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPEPPS P55786 2/20 0.53
MPO P05164 2/20 0.53
LMNA P02545 1/20 0.50

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
SCHEMBL29897963 1.00 ADORA3 (1.00) ADORA3ADORA2BADORA2AADORA1ALDH1A1
SCHEMBL6299915 0.81 ALDH1A1 (0.70) ADORA3ADORA2BADORA2AADORA1ALDH1A1
SCHEMBL31709875 0.78 ADORA3 (0.64) ADORA3ADORA2BADORA2AADORA1ALDH1A1
SCHEMBL9919008 0.78 ADORA3 (0.64) ADORA3ADORA2BADORA2AADORA1ALDH1A1
SCHEMBL8692730 0.77 CYP1A2 (0.76) ADORA3ADORA2BADORA2AADORA1ALDH1A1
SCHEMBL19577287 0.76 ALDH1A1 (0.61) ADORA3ADORA2BADORA2AADORA1ALDH1A1
SCHEMBL29933774 0.76 FEN1 (1.00) ADORA3ADORA2BADORA2AADORA1ALDH1A1
SCHEMBL1520708 0.76 FEN1 (1.00) ADORA3ADORA2BADORA2AADORA1ALDH1A1
SCHEMBL3754362 0.76 ALDH1A1 (1.00) ADORA3ADORA2BADORA2AADORA1ALDH1A1
SCHEMBL13947065 0.76 ALDH1A1 (0.61) ADORA3ADORA2BADORA2AADORA1ALDH1A1

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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916573-B2 Quinazoline-2,4-dione derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-12-23 US claimed
US-20140171425-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2014-06-19 US claimed
EP-2742042-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2014-06-18 EP claimed
WO-2013021363-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-02-14 WO claimed
EP-0276436-A1 Phosphinic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-08-03 EP claimed
US-20230159608-A1 MODIFIED PEPTIDE FRAGMENTS OF CAV-1 PROTEIN AND USES THEREOF LUNG THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
WO-2022133551-A1 HISTONE DEACETYLASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2022-06-30 WO disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
EP-3957633-A1 A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2022-02-23 EP disclosed
WO-2020211822-A1 A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF 成都海创药业有限公司 2020-10-22 WO disclosed
WO-2019101551-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2019-05-31 WO disclosed
WO-2019101513-A1 HERBICIDAL PYRIDYLETHERS BASF SE (DE) 2019-05-31 WO disclosed
US-4780539-A ANTICONVULSANTS, ANXIOLYTIC AGENTS A/S FERROSAN (DK) 1988-10-25 US disclosed
EP-0283162-A2 Heterocyclic compounds and their preparation and use NOVO NORDISK A/S (DK) 1988-09-21 EP disclosed
US-4771051-A CENTRAL NERVOUS SYSTEM DISORDERS A/S FERROSAN (DK) 1988-09-13 US disclosed
EP-0276436-A1 Phosphinic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-08-03 EP disclosed
EP-0274009-A1 Oxadiazolylacetonitriles, their preparation and use NOVO NORDISK A/S (DK) 1988-07-13 EP disclosed
EP-0226282-A2 Heterocyclic compounds and their preparation and use A/S FERROSAN (DK) 1987-06-24 EP disclosed
US-4551458-A 1-HALOALKYLTHIO DERIVATIVES MAKHTESHIM CHEMICAL WORKS, LTD. (IL) 1985-11-05 US disclosed
US-3947416-A Azaisatoic anhydrides THE SHERWIN-WILLIAMS COMPANY (US) 1976-03-30 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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B ADORA3 1388/4885ADORA2B 616/4885ADORA2A 2215/4885
US-20140171425-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES NQO2, H1-3, H1-0 ADORA3 1306/4885ADORA2B 3404/4885ADORA2A 3975/4885

“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.