SCHEMBL4875480

SCHEMBL4875480

c1cnc(-c2ncc3nc[nH]c3n2)nc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
AXL P30530 1/20 0.31
NUDT1 P36639 1/20 0.31
KDM4A O75164 1/20 0.30
KDM4B O94953 1/20 0.30
KDM5C P41229 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
KDM3A Q9Y4C1 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
SCHEMBL4924089 0.81 KDM4E (0.48) KDM4EHSD17B10
SCHEMBL680853 0.78 NPC1 (0.45) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL31547968 0.77 MAPK1 (0.41) KDM4AKDM4BKDM5CKDM4CKDM5B
Hydrochloric Acid SCHEMBL4456673 0.77 NPC1 (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3027716 0.76 QPCT (0.50) KDM4EALDH1A1HPGDHSD17B10NUDT1
SCHEMBL30677345 0.76 QPCT (0.50) KDM4EALDH1A1HPGDHSD17B10NUDT1
SCHEMBL30707907 0.75 USP1 (0.39)
SCHEMBL183634 0.74 KDM4E (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2009845 0.74 KDM4E (0.35) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL18725509 0.73 PDK2 (0.31) KDM4EALDH1A1GLAGAAHPGD

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-7449470-B2 Substituted pyrimidines as ligands of adenosine receptors UNIVERSITEIT LEIDEN (NL) 2008-11-11 US disclosed
US-20070032510-A1 Substituted pyrimidines as ligands of adenosine receptors UNIVERSITEIT LEIDEN (NL) 2007-02-08 US disclosed
EP-1667985-A1 SUBSTITUTED PYRIMIDINES AS LIGANDS OF ADENOSINE RECEPTORS Universiteit Leiden (NL) 2006-06-14 EP disclosed
WO-2005033084-A1 SUBSTITUTED PYRIMIDINES AS LIGANDS OF ADENOSINE RECEPTORS UNIVERSITEIT LEIDEN (NL) 2005-04-14 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-20070032510-A1 Substituted pyrimidines as ligands of adenosine receptors ADORA2A, ADORA3, ADORA1 KDM4E 4307/4885ALDH1A1 852/4885GLA 3677/4885

“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.