SCHEMBL929328

SCHEMBL929328

Cc1csc(-c2cc(C(=O)NCc3cn(C)nc3C)nc(N)n2)n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.61
ADORA1 P30542 14/20 0.61
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.42
ADORA3 P0DMS8 3/20 0.42
ADORA2B P29275 3/20 0.42
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL929795 0.83 ADORA2A (0.68) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL930626 0.82 ADORA2A (0.61) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL930928 0.82 ADORA2A (0.66) ADORA2AADORA1ALDH1A1ADORA3ADORA2B
SCHEMBL928703 0.82 ADORA2A (0.63) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL930360 0.81 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL929601 0.81 ADORA2A (0.74) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL929659 0.79 ADORA2A (0.76) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL12906767 0.78 ADORA2A (0.67) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL928851 0.78 ADORA2A (0.78) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL930475 0.77 ADORA2A (0.67) ADORA2AADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875600-B2 Pyrimidine compounds as purine receptor antagonist VERNALIS (R&D) LIMITED (GB) 2011-01-25 US claimed
US-7875600-B2 Pyrimidine compounds as purine receptor antagonist VERNALIS (R&D) LIMITED (GB) 2011-01-25 US disclosed
US-7875600-B2 Pyrimidine compounds as purine receptor antagonist VERNALIS (R&D) LIMITED (GB) 2011-01-25 US disclosed
EP-1722798-B1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONISTS VERNALIS R&D LTD (GB) 2010-10-20 EP disclosed
US-20080182860-A1 Pyrimidine Compounds as Purine Receptor Antagonist VERNALIS (R&D) LTD. (GB) 2008-07-31 US disclosed
US-20080182860-A1 Pyrimidine Compounds as Purine Receptor Antagonist VERNALIS (R&D) LTD. (GB) 2008-07-31 US disclosed
US-20080182860-A1 Pyrimidine Compounds as Purine Receptor Antagonist VERNALIS (R&D) LTD. (GB) 2008-07-31 US disclosed
US-20070281936-A1 To reducte the purinergic neurotransmission; Parkinson's disease; dyskinesias; Movement disorders; Adenosine receptors antagonists; 2-Methylamino-6-(5-methyl-2-furyl)-N-(2-pyridylmethyl)pyrimidine-4-carboxamide VERNALIS (R & D ) LIMITED (GB) 2007-12-06 US disclosed
US-20070281936-A1 To reducte the purinergic neurotransmission; Parkinson's disease; dyskinesias; Movement disorders; Adenosine receptors antagonists; 2-Methylamino-6-(5-methyl-2-furyl)-N-(2-pyridylmethyl)pyrimidine-4-carboxamide VERNALIS (R & D ) LIMITED (GB) 2007-12-06 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-20080182860-A1 Pyrimidine Compounds as Purine Receptor Antagonist ADORA3, P2RY10, ADORA2A ADORA2A 3/4885ADORA1 4/4885ALDH1A1 1455/4885
US-20070281936-A1 To reducte the purinergic neurotransmission; Parkinson's disease; dyskinesias; Movement disorders; Adenosine receptors antagonists; 2-Methylamino-6-(5-methyl-2-furyl)-N-(2-pyridylmethyl)pyrimidine-4-carboxamide ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ALDH1A1 562/4885

“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.