SCHEMBL929329

SCHEMBL929329

Nc1nc(C(=O)N2CCCc3ccccc32)cc(-c2ccco2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.66
MAPT P10636 10/20 0.66
HSD17B10 Q99714 3/20 0.66
RECQL P46063 3/20 0.66
POLB P06746 2/20 0.66
ALOX15 P16050 2/20 0.66
USP2 O75604 1/20 0.66
HPGD P15428 5/20 0.62
TSHR P16473 8/20 0.56
NPSR1 Q6W5P4 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
GAA P10253 4/20 0.56
HTT P42858 3/20 0.56
ALOX12 P18054 1/20 0.56
KDM4E B2RXH2 3/20 0.53
RAB9A P51151 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
NPC1 O15118 2/20 0.49
LMNA P02545 2/20 0.49
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL929976 0.94 ALDH1A1 (0.57) ALDH1A1MAPTHSD17B10RECQLPOLB
SCHEMBL930889 0.79 ADORA2A (0.55) ALDH1A1MAPTHSD17B10RECQLPOLB
SCHEMBL930501 0.79 MAPT (0.65) ALDH1A1MAPTHSD17B10RECQLPOLB
SCHEMBL929756 0.78 ALDH1A1 (0.57) ALDH1A1MAPTHSD17B10RECQLPOLB
SCHEMBL1718383 0.77 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10RECQLPOLB
SCHEMBL4206219 0.72 HSD17B10 (1.00) ALDH1A1MAPTHSD17B10POLBALOX15
SCHEMBL929613 0.72 ADORA2A (0.65) ADORA3ADORA2AADORA2BADORA1
SCHEMBL930406 0.72 ADORA2A (0.63) ADORA3ADORA2AADORA2BADORA1
SCHEMBL4210644 0.72 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10RECQLPOLB
SCHEMBL930362 0.71 ADORA2A (0.56) ALDH1A1HSD17B10RECQLTSHRADORA3

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 11 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-7875600-B2 Pyrimidine compounds as purine receptor antagonist VERNALIS (R&D) LIMITED (GB) 2011-01-25 US disclosed
US-7875600-B2 Pyrimidine compounds as purine receptor antagonist VERNALIS (R&D) LIMITED (GB) 2011-01-25 US disclosed
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
US-20080182860-A1 Pyrimidine Compounds as Purine Receptor Antagonist VERNALIS (R&D) LTD. (GB) 2008-07-31 US disclosed
US-20080182860-A1 Pyrimidine Compounds as Purine Receptor Antagonist VERNALIS (R&D) LTD. (GB) 2008-07-31 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
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
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
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 (2 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 ALDH1A1 1455/4885MAPT 4220/4885HSD17B10 1799/4885
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 ALDH1A1 562/4885MAPT 3556/4885HSD17B10 1797/4885

“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.