SCHEMBL928872

SCHEMBL928872

COCc1cccnc1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PKM P14618 1/20 0.50
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
GRM5 P41594 2/20 0.44
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CASP3 P42574 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL930356 0.81 ALDH1A1 (0.54) MEN1KMT2AALDH1A1PKMCYP1A2
SCHEMBL1632864 0.75 ALDH1A1 (0.54) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL12725681 0.75 MEN1 (0.57) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL7366128 0.75 KMT2A (0.47) MEN1KMT2AALDH1A1PKMGAA
Hydrochloric Acid SCHEMBL1630784 0.74 ALDH1A1 (0.53) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL11177842 0.74 ALDH1A1 (0.49) MEN1KMT2AALDH1A1PKMCYP1A2
SCHEMBL7366131 0.74 KMT2A (0.49) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL26963703 0.73 ALDH1A1 (0.54) MEN1KMT2AALDH1A1PKMTSHR
SCHEMBL29940891 0.73 ALDH1A1 (0.54) MEN1KMT2AALDH1A1PKMTSHR
SCHEMBL26720551 0.72 KDM4E (0.46) ALDH1A1GAAGRM5KDM4E

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 MEN1 4622/4885KMT2A 1906/4885ALDH1A1 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.