SCHEMBL2320140

SCHEMBL2320140

c1ccc2nc(OC3CCOC3)ncc2c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.47
PDE9A O76083 1/20 0.43
LRRK2 Q5S007 3/20 0.41
ACACB O00763 1/20 0.38
PDE4D Q08499 1/20 0.37
GRM5 P41594 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PDE10A Q9Y233 4/20 0.35
PDE2A O00408 1/20 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
SCHEMBL2320138 1.00 MKNK2 (0.47) MKNK2PDE9ALRRK2ACACBPDE4D
SCHEMBL30211008 1.00 MKNK2 (0.47) MKNK2PDE9ALRRK2ACACBPDE4D
SCHEMBL5663343 0.91 PDE9A (0.47) MKNK2PDE9ALRRK2PDE4DPDE10A
SCHEMBL6613792 0.80 CDK4 (0.40) MKNK2PDE9AACACBPDE10A
SCHEMBL29576081 0.76 EGFR (0.52) IRAK4
SCHEMBL29586318 0.75 PDE9A (0.40) MKNK2PDE9AACACBPDE10A
SCHEMBL29849730 0.75 KDM4E (0.44) MKNK2LRRK2
SCHEMBL22264349 0.75 LRRK2 (0.40) MKNK2LRRK2ACACBGRM5
SCHEMBL5463861 0.74 HRH4 (0.51) LRRK2PDE10A
SCHEMBL21554467 0.74 MKNK2 (0.67) MKNK2

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
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 MKNK2 246/4885PDE9A 4107/4885LRRK2 1083/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 MKNK2 200/4885PDE9A 3903/4885LRRK2 1054/4885

“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.