SCHEMBL928758

SCHEMBL928758

COCc1cccnc1CN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALOX12 P18054 2/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
DPP4 P27487 1/20 0.37
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
ADRA1A P35348 2/20 0.35

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
SCHEMBL26720551 0.83 KDM4E (0.46) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL2491544 0.80 DPP4 (0.47) KDM4EL3MBTL1MAPTALDH1A1DPP4
SCHEMBL17778287 0.79 DPP4 (0.40) KDM4EL3MBTL1MAPTSMN1; SMN2PRMT5
SCHEMBL30580351 0.78 DPP4 (0.42) KDM4EL3MBTL1MAPTALDH1A1DPP4
SCHEMBL18765363 0.77 BACE1 (0.38) DPP4LOXL2
SCHEMBL8357655 0.77 NPC1 (0.47) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL18792288 0.76 GRM5 (0.43) KDM4EL3MBTL1USP2ALDH1A1DPP4
SCHEMBL2107335 0.75 DPP4 (0.45) KDM4EMAPTDPP4KMT2A
SCHEMBL14615243 0.75 KDM4E (0.49) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL15382408 0.75 DPP4 (0.40) KDM4EL3MBTL1MAPTALDH1A1DPP4

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 KDM4E 3444/4885ALOX12 1224/4885HTT 337/4885

“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.