SCHEMBL930558

SCHEMBL930558

Cc1cccc(-c2cc(C(=O)O)nc(N)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.61
ADORA2A P29274 6/20 0.58
ADORA1 P30542 6/20 0.58
RAB9A P51151 1/20 0.51
XDH P47989 1/20 0.50
DHODH Q02127 1/20 0.47
PIN1 Q13526 1/20 0.46
ATR Q13535 1/20 0.45

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 0.84 ADORA2A (0.66) KMOADORA2AADORA1RAB9A
SCHEMBL931575 0.83 ADORA2A (0.54) KMOADORA2AADORA1DHODH
SCHEMBL929982 0.82 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL929138 0.79 ADORA2A (0.60) ADORA2AADORA1XDHPIN1ATR
SCHEMBL1358738 0.78 RAB9A (0.61) KMOADORA2AADORA1RAB9AXDH
SCHEMBL17595189 0.78 KMO (0.58) KMORAB9ADHODHPIN1
SCHEMBL1938958 0.76 KMO (1.00) KMO
SCHEMBL930471 0.75 ADORA2A (0.59) ADORA2AADORA1ATR
SCHEMBL2466456 0.73 KMO (0.49) KMOADORA2AADORA1RAB9AXDH
SCHEMBL15757289 0.73 NUDT1 (0.58) ADORA2AADORA1RAB9AXDH

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 KMO 322/4885ADORA2A 1/4885ADORA1 3/4885

“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.