SCHEMBL1947320

SCHEMBL1947320

Cn1c(=O)[nH]c(N)c(N)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.39
ADORA2A P29274 3/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
CHRNB2 P17787 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR1E P28566 1/20 0.36
CHRNA3 P32297 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
APAF1 O14727 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
SCHEMBL8696414 0.79 TYMP (0.41) ADORA2BADORA2AADORA3ADORA1ALDH1A1
SCHEMBL27384925 0.77 ADORA2B (0.37) ADORA2BADORA2AADORA3ADORA1ALDH1A1
SCHEMBL28143896 0.77 TYMP (0.40) ADORA2BADORA2AADORA3ADORA1ALDH1A1
SCHEMBL10178080 0.77 CSNK2A2 (0.44) ADORA2BADORA2AADORA3ADORA1ALDH1A1
SCHEMBL25980042 0.77 TYMP (0.40) ADORA2BADORA2AADORA3ADORA1ALDH1A1
SCHEMBL24097424 0.77 ADORA2B (0.37) ADORA2BADORA2AADORA3ADORA1ALDH1A1
SCHEMBL10279639 0.77 ADORA2B (0.37) ADORA2BADORA2AADORA3ADORA1ALDH1A1
SCHEMBL2272851 0.74 ALDH1A1 (0.39) ADORA2BADORA2AADORA3ADORA1ALDH1A1
SCHEMBL1946777 0.74 ALDH1A1 (0.50) ADORA2BADORA2AADORA3ADORA1ALDH1A1
SCHEMBL17582661 0.74 SMN1; SMN2 (0.43) ADORA2BADORA2AADORA3ADORA1ALDH1A1

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
EP-1413286-B1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent OREAL (FR) 2009-04-22 EP claimed
WO-2007071688-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, A PARTICULAR OXIDATION BASE AND A COUPLER L'ORÉAL (FR) 2007-06-28 WO claimed
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2025-01-30 US disclosed
US-11958854-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2024-04-16 US disclosed
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds CARNEGIE MELLON UNIVERSITY (US) 2023-10-03 US disclosed
US-20230226065-A1 ANTI-INFLAMMATORY COMPOSITIONS, METHODS AND USES THEREOF COMVITA LIMITED (NZ) 2023-07-20 US disclosed
US-20230226065-A1 ANTI-INFLAMMATORY COMPOSITIONS, METHODS AND USES THEREOF COMVITA LIMITED (NZ) 2023-07-20 US disclosed
US-20230226065-A1 ANTI-INFLAMMATORY COMPOSITIONS, METHODS AND USES THEREOF COMVITA LIMITED (NZ) 2023-07-20 US disclosed
EP-4175641-A1 ANTI-INFLAMMATORY COMPOSITIONS, METHODS AND USES THEREOF Comvita Limited (NZ) 2023-05-10 EP disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 WO disclosed
US-6825349-B2 PURINE DERIVATIVES FOR TREATMENT OF GASTROINTESTINAL DISORDERS, IMMUNOLOGICAL DISORDERS, NEUROLOGICAL DISORDERS CV THERAPEUTICS INC. 2004-11-30 US disclosed
EP-1479682-A1 Immunosuppressive effects of pteridine derivatives 4 AZA Bioscience nv (BE) 2004-11-24 EP disclosed
EP-1444233-A2 A 2B? ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-08-11 EP disclosed
US-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 US disclosed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 US disclosed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 WO disclosed
EP-0914206-A1 LONG-LIVED HOMOGENOUS OXIDATION CATALYSTS CARNEGIE-MELLON UNIVERSITY (US) 1999-05-12 EP disclosed
WO-1998003263-A1 LONG-LIVED HOMOGENOUS OXIDATION CATALYSTS CARNEGIE MELLON UNIVERSITY (US) 1998-01-29 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 (7 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-20230226065-A1 ANTI-INFLAMMATORY COMPOSITIONS, METHODS AND USES THEREOF PTGES2, TPMT, PARK7 ADORA2B 3151/4885ADORA2A 2457/4885ADORA3 3733/4885
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds SOD1, ME3, ME2 ADORA2B 2335/4885ADORA2A 2532/4885ADORA3 1536/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA3 4/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA3 4/4885
US-11958854-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 ADORA2B 577/4885ADORA2A 486/4885ADORA3 449/4885
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ADORA2B 577/4885ADORA2A 486/4885ADORA3 449/4885
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ADORA2B 577/4885ADORA2A 486/4885ADORA3 449/4885

“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.