SCHEMBL929976

SCHEMBL929976

Nc1nc(C(=O)N2CCc3ccccc32)cc(-c2ccco2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MAPT P10636 3/20 0.57
HSD17B10 Q99714 2/20 0.57
POLB P06746 2/20 0.57
ALOX15 P16050 2/20 0.57
USP2 O75604 1/20 0.57
RECQL P46063 1/20 0.57
HPGD P15428 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
ADORA2A P29274 8/20 0.50
ADORA1 P30542 8/20 0.50
ADORA3 P0DMS8 6/20 0.50
ADORA2B P29275 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL929329 0.94 ALDH1A1 (0.66) ALDH1A1MAPTHSD17B10POLBALOX15
SCHEMBL930501 0.83 MAPT (0.65) ALDH1A1MAPTHSD17B10POLBALOX15
SCHEMBL930889 0.81 ADORA2A (0.55) ALDH1A1MAPTHSD17B10POLBALOX15
SCHEMBL929756 0.78 ALDH1A1 (0.57) ALDH1A1MAPTHSD17B10POLBALOX15
SCHEMBL929613 0.74 ADORA2A (0.65) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL930406 0.74 ADORA2A (0.63) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL13084876 0.72 ADORA2A (0.62) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL929025 0.72 ALDH1A1 (0.63) ALDH1A1MAPTHSD17B10POLBUSP2
SCHEMBL929980 0.72 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1718383 0.71 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10POLBALOX15

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 10 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-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.