SCHEMBL2762872

SCHEMBL2762872

CNc1nc(C(=O)O)cc(-c2ccc(C)o2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.59
ADORA1 P30542 14/20 0.59
KAT8 Q9H7Z6 1/20 0.51
ALDH1A1 P00352 4/20 0.47
POLB P06746 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
GLA P06280 2/20 0.47
MCL1 Q07820 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NR4A1 P22736 1/20 0.47
PPARG P37231 1/20 0.47
RECQL P46063 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
PKM P14618 3/20 0.46
PLIN1 O60240 1/20 0.46
LMNA P02545 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
SCHEMBL2762926 0.82 KAT8 (0.56) ADORA2AADORA1KAT8ALDH1A1POLB
SCHEMBL929260 0.80 ADORA2A (0.60) ADORA2AADORA1KAT8ADORA3ADORA2B
SCHEMBL2764032 0.78 ADORA2A (0.58) ADORA2AADORA1KAT8ALDH1A1POLB
SCHEMBL2783816 0.78 ADORA2A (0.58) ADORA2AADORA1KAT8ALDH1A1POLB
Lithium SCHEMBL930354 0.77 ADORA2A (0.57) ADORA2AADORA1KAT8ALDH1A1POLB
SCHEMBL930353 0.77 ADORA2A (0.57) ADORA2AADORA1KAT8ALDH1A1POLB
SCHEMBL928465 0.77 ADORA2A (0.46) ADORA2AADORA1KAT8ALDH1A1POLB
SCHEMBL2762988 0.75 ADORA2A (1.00) ADORA2AADORA1HPGDADORA3ADORA2B
SCHEMBL2763137 0.73 ALDH1A1 (0.45) ADORA2AADORA1KAT8ALDH1A1POLB
SCHEMBL1180441 0.72 MAPT (0.44) ALDH1A1POLBKDM4EMAPTRECQL

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
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
EP-1722798-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R&D) LTD (GB) 2006-11-22 EP disclosed
WO-2005079800-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-20080182860-A1 Pyrimidine Compounds as Purine Receptor Antagonist ADORA3, P2RY10, ADORA2A ADORA2A 3/4885ADORA1 4/4885KAT8 4397/4885

“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.