SCHEMBL930849

SCHEMBL930849

OCc1cccc(COC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
KIF11 P52732 1/20 0.41
MEN1 O00255 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR1 P32246 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
ELANE P08246 1/20 0.33
CYSLTR1 Q9Y271 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
TK1 P04183 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
MRGPRX4 Q96LA9 2/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
LMNA P02545 1/20 0.30
DUT P33316 1/20 0.30

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
SCHEMBL12539966 0.89 KIF11 (0.40) KCNH2KIF11MEN1KMT2A
SCHEMBL928625 0.83 KCNH2 (0.44) KCNH2KIF11MEN1OPRM1OPRD1
SCHEMBL929860 0.83 KIF11 (0.49) KCNH2KIF11MEN1OPRM1OPRD1
SCHEMBL12691257 0.79 KMT2A (0.45) KIF11MEN1KMT2A
SCHEMBL4047727 0.78 KCNH2 (0.40) KCNH2KIF11MEN1OPRM1OPRD1
SCHEMBL1058939 0.76 KIF11 (0.38) KCNH2KIF11MEN1OPRM1OPRD1
SCHEMBL19990322 0.75 KIF11 (0.46) KIF11GRIN1GRIN2BLMNA
SCHEMBL5778551 0.75 MAPT (0.37) KIF11KMT2A
SCHEMBL18149741 0.75 KIF11 (0.34) KIF11MRGPRX4
SCHEMBL486201 0.73 CCR1 (0.55) KCNH2CCR1HRH4PGK1PGK2

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 5 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
EP-0588229-A2 Macrocyclic chelating agents for the preparation of Technetium or Rhenium complexes CIS BIO INTERNATIONAL (FR) 1994-03-23 EP 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 KCNH2 645/4885KIF11 2168/4885MEN1 4622/4885

“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.