SCHEMBL929347

SCHEMBL929347

Cc1csc(-c2cc(C(=O)NCc3cccnc3)nc(N)n2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.70
ADORA1 P30542 12/20 0.70
ADORA3 P0DMS8 4/20 0.62
ADORA2B P29275 4/20 0.62
TSHR P16473 2/20 0.53
HTT P42858 2/20 0.49
MMP13 P45452 1/20 0.49
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
ROCK2 O75116 1/20 0.47
CSF1R P07333 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
CSNK1D P48730 1/20 0.47
MAPK10 P53779 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47

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
SCHEMBL929659 0.89 ADORA2A (0.76) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL928945 0.86 ADORA2A (0.69) ADORA2AADORA1ADORA3ADORA2BMMP13
SCHEMBL930409 0.84 ADORA2A (0.67) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL929125 0.84 ADORA2A (0.67) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL929730 0.83 ADORA2A (0.65) ADORA2AADORA1ADORA3ADORA2BHTT
SCHEMBL928847 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL929473 0.82 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2BMMP13
SCHEMBL928851 0.82 ADORA2A (0.78) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL929968 0.81 ADORA2A (0.77) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL930360 0.81 ADORA2A (0.70) 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 11 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
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
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 4/4885ADORA3 1/4885
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 3/4885ADORA3 2/4885

“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.