SCHEMBL931575

SCHEMBL931575

Cc1ccc(-c2cc(C(=O)O)nc(N)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.54
ADORA1 P30542 4/20 0.54
KMO O15229 2/20 0.49
CTRC Q99895 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MCL1 Q07820 3/20 0.46
ADORA3 P0DMS8 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALPL P05186 1/20 0.46
DHODH Q02127 1/20 0.46

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
SCHEMBL931017 0.85 ADORA2A (0.66) ADORA2AADORA1KMOSMN1; SMN2MCL1
SCHEMBL2259547 0.83 ADORA3 (0.56) ADORA1KMOCTRCSMN1; SMN2MCL1
SCHEMBL930558 0.83 KMO (0.61) ADORA2AADORA1KMODHODH
SCHEMBL3450486 0.76 MEN1 (0.47) ADORA2AADORA1SMN1; SMN2ADORA3MEN1
SCHEMBL17595055 0.75 MCL1 (0.54) SMN1; SMN2MCL1ADORA3ALDH1A1ALPL
SCHEMBL930471 0.75 ADORA2A (0.59) ADORA2AADORA1SMN1; SMN2ADORA3MEN1
SCHEMBL476659 0.74 CTRC (0.62) ADORA1CTRCSMN1; SMN2MCL1ADORA3
SCHEMBL28340647 0.74 TSHR (0.54) MCL1MEN1KMT2AALDH1A1
SCHEMBL929260 0.74 ADORA2A (0.60) ADORA2AADORA1ADORA3
SCHEMBL929982 0.74 ADORA2A (0.60) ADORA2AADORA1MCL1ADORA3ALDH1A1

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 3/4885KMO 322/4885

“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.