SCHEMBL928465

SCHEMBL928465

CNc1nc(Cl)cc(-c2ccc(C)o2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
ALDH1A1 P00352 10/20 0.40
HPGD P15428 9/20 0.40
KDM4E B2RXH2 8/20 0.40
PKM P14618 8/20 0.40
MAPT P10636 7/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
GAA P10253 5/20 0.40
GLA P06280 5/20 0.40
ALOX12 P18054 4/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 2/20 0.40
USP2 O75604 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
TDP1 Q9NUW8 4/20 0.39

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
SCHEMBL2763257 0.80 ALDH1A1 (0.44) ADORA2AADORA1ALDH1A1HPGDKDM4E
SCHEMBL929213 0.80 ALDH1A1 (0.44) ADORA2AADORA1ALDH1A1HPGDKDM4E
SCHEMBL2763137 0.78 ALDH1A1 (0.45) ADORA2AADORA1ALDH1A1HPGDKDM4E
SCHEMBL930783 0.78 KDM4E (0.49) ADORA2AADORA1ALDH1A1HPGDKDM4E
SCHEMBL2762872 0.77 ADORA2A (0.59) ADORA2AADORA1ALDH1A1HPGDKDM4E
SCHEMBL2763990 0.75 ADORA2A (0.46) ADORA2AADORA1ALDH1A1HPGDKDM4E
SCHEMBL2763076 0.74 ALDH1A1 (0.42) ADORA2AADORA1ALDH1A1HPGDKDM4E
SCHEMBL13111256 0.72 TDP1 (0.53) ADORA1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2762992 0.72 ALDH1A1 (0.38) ADORA2AADORA1ALDH1A1HPGDKDM4E
SCHEMBL1318655 0.71 POLB (0.42) ADORA1ALDH1A1MAPTTDP1POLB

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 3/4885ALDH1A1 562/4885

“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.