SCHEMBL930471

SCHEMBL930471

Cc1ccccc1-c1cc(C(=O)O)nc(N)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.59
ADORA1 P30542 10/20 0.59
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK10 P53779 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NUDT1 P36639 1/20 0.43
PRKDC P78527 1/20 0.43
ATR Q13535 1/20 0.43
JAK2 O60674 1/20 0.43
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL31112132 0.83 SMN1; SMN2 (0.65) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL931017 0.79 ADORA2A (0.66) ADORA2AADORA1MEN1KMT2ALMNA
SCHEMBL30488032 0.77 NUDT1 (0.50) ADORA2AADORA1MEN1KMT2ALMNA
SCHEMBL29044794 0.77 NUDT1 (0.50) ADORA2AADORA1MEN1KMT2ALMNA
SCHEMBL17595182 0.76 MCL1 (0.53) TDP1
SCHEMBL930620 0.75 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL929658 0.75 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL31301553 0.75 KMO (0.63) CYP1A2CYP2C19
SCHEMBL931575 0.75 ADORA2A (0.54) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL930558 0.75 KMO (0.61) ADORA2AADORA1ATR

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 3/4885ADORA3 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.