SCHEMBL930500

SCHEMBL930500

Cc1c(C#N)nc(N)nc1-c1ccco1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.57
ADORA1 P30542 9/20 0.57
ADORA2B P29275 3/20 0.57
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 6/20 0.48
HPGD P15428 4/20 0.48
MEN1 O00255 2/20 0.48
CASP1 P29466 2/20 0.48
BLM P54132 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 5/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
DHFR P00374 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 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
SCHEMBL5041600 0.84 ADORA2A (0.70) ADORA2AADORA1ADORA2BALDH1A1HSD17B10
SCHEMBL929525 0.77 ADORA2A (0.56) ADORA2AADORA1ADORA2BALDH1A1HSD17B10
SCHEMBL7151566 0.77 ADORA2A (0.54) ADORA2AADORA1ADORA2BALDH1A1HSD17B10
SCHEMBL6443406 0.76 ADORA2A (0.64) ADORA2AADORA1ADORA2BALDH1A1HSD17B10
Benzene SCHEMBL6444041 0.76 ADORA2A (0.67) ADORA2AADORA1ADORA2BALDH1A1HSD17B10
SCHEMBL6441202 0.76 ADORA2A (0.72) ADORA2AADORA1ADORA2BALDH1A1HSD17B10
SCHEMBL11836181 0.75 ADORA2A (0.52) ADORA2AADORA1ADORA2BALDH1A1HSD17B10
SCHEMBL7146915 0.75 ADORA2A (0.51) ADORA2AADORA1ADORA2BALDH1A1HSD17B10
SCHEMBL6446123 0.74 ADORA2A (0.65) ADORA2AADORA1ADORA2BALDH1A1HSD17B10
SCHEMBL6440893 0.73 ADORA2A (0.68) ADORA2AADORA1ADORA2BALDH1A1HSD17B10

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 4 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 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
EP-1720553-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R&D) LTD (GB) 2006-11-15 EP disclosed
WO-2005079801-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R & D) LTD (GB) 2005-09-01 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 (1 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-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 3/4885ADORA2B 4/4885

“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.