SCHEMBL929982

SCHEMBL929982

COc1cccc(-c2cc(C(=O)O)nc(N)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.60
ADORA1 P30542 6/20 0.60
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
ADORA3 P0DMS8 3/20 0.50
ADORA2B P29275 3/20 0.50
MCL1 Q07820 1/20 0.50
PIK3CG P48736 1/20 0.49
MAOB P27338 1/20 0.48

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
SCHEMBL1733528 0.89 ADORA1 (0.60) ADORA2AADORA1ADORA3ADORA2BPIK3CG
SCHEMBL930558 0.82 KMO (0.61) ADORA2AADORA1
SCHEMBL931017 0.81 ADORA2A (0.66) ADORA2AADORA1ALDH1A1MCL1
SCHEMBL14151460 0.80 ALDH1A1 (0.59) ADORA2AADORA1ALDH1A1HPGDADORA3
SCHEMBL31295947 0.80 DYRK1A (0.69) ADORA2AADORA1ALDH1A1HPGDADORA2B
SCHEMBL5751719 0.79 HSP90AA1 (0.54) ADORA2AADORA1ALDH1A1HPGDADORA2B
SCHEMBL1937818 0.78 KMO (0.68) ALDH1A1HPGD
SCHEMBL1644371 0.77 HSP90AA1 (0.61) ADORA2AADORA1ALDH1A1HPGDADORA2B
SCHEMBL24499492 0.77 ALDH1A1 (0.56) ADORA2AADORA1ALDH1A1HPGDADORA3
SCHEMBL931579 0.76 ADORA2A (1.00) 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 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 3/4885ALDH1A1 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.