SCHEMBL929039

SCHEMBL929039

Cc1ccc(-c2cc(C(=O)NCc3ccccn3)ncn2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 1.00
ADORA1 P30542 15/20 1.00
ADORA3 P0DMS8 3/20 0.73
ADORA2B P29275 3/20 0.73
HPGD P15428 1/20 0.61
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
NTRK1 P04629 1/20 0.52
NTRK3 Q16288 1/20 0.52
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
MCL1 Q07820 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL2762979 0.86 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BHPGD
SCHEMBL931577 0.85 ADORA2A (0.74) ADORA2AADORA1ADORA3ADORA2BHPGD
SCHEMBL2763082 0.85 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BHPGD
SCHEMBL929350 0.84 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL2762988 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BHPGD
SCHEMBL13084738 0.83 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2BMAPT
SCHEMBL2763030 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BHPGD
SCHEMBL5719830 0.83 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL929781 0.81 ADORA2A (0.68) ADORA2AADORA1ADORA3ADORA2BRAB9A
SCHEMBL929518 0.79 ADORA2A (0.66) ADORA2AADORA1ADORA3ADORA2BSMN1; SMN2

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.