SCHEMBL929136

SCHEMBL929136

NCc1ncccc1CN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.51
CYP2A13 Q16696 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48
NCF1 P14598 1/20 0.48
CYP2C9 P11712 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CXCR4 P61073 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL27854561 0.81 CYP2A13 (0.53) METAP2CYP2A13L3MBTL1NPC1RAB9A
SCHEMBL4709011 0.79 SIGMAR1 (0.41) METAP2CYP2A13L3MBTL1NPC1RAB9A
SCHEMBL1082848 0.78 CYP2A13 (0.57) METAP2CYP2A13L3MBTL1NPC1RAB9A
SCHEMBL5259944 0.78 CYP2A13 (0.61) METAP2CYP2A13L3MBTL1NPC1RAB9A
SCHEMBL10035129 0.78 CYP2A13 (0.61) METAP2CYP2A13L3MBTL1NPC1RAB9A
SCHEMBL111727 0.77 CYP2A13 (0.64) CYP2A13NCF1CYP2C9ALOX15HSD17B10
SCHEMBL2080974 0.75 SMN1; SMN2 (0.42) L3MBTL1NCF1CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL20160984 0.75 CYP2A13 (0.57) METAP2CYP2A13L3MBTL1NPC1RAB9A
SCHEMBL4902515 0.75 CYP2C19 (0.71) METAP2CYP2A13L3MBTL1NPC1RAB9A
SCHEMBL10035128 0.75 EGLN1 (0.60) CYP2A13CXCR4CYP2C19ALDH1A1MEN1

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 METAP2 1121/4885CYP2A13 840/4885L3MBTL1 911/4885

“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.