SCHEMBL6910259

SCHEMBL6910259

CCOc1cc(OC)cc2nc[nH]c(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ELANE P08246 1/20 0.41
PDPK1 O15530 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MMP12 P39900 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
PKM P14618 1/20 0.38
SRC P12931 1/20 0.38
PARP1 P09874 1/20 0.38
HTT P42858 1/20 0.36

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
SCHEMBL3187133 0.91 NPC1 (0.44) NPC1RAB9AKDM4EADORA3LMNA
SCHEMBL30353899 0.91 NPC1 (0.44) NPC1RAB9AKDM4EADORA3LMNA
SCHEMBL30353921 0.89 NPC1 (0.42) NPC1RAB9AKDM4EELANEPDPK1
SCHEMBL3189730 0.89 NPC1 (0.42) NPC1RAB9AKDM4EELANEPDPK1
SCHEMBL615784 0.88 PDE3B (0.50) NPC1RAB9AKDM4EPDPK1ALDH1A1
SCHEMBL29609262 0.88 PDE3B (0.50) NPC1RAB9AKDM4EPDPK1ALDH1A1
SCHEMBL3181498 0.85 BRD4 (0.41) NPC1RAB9AKDM4EPDPK1ALDH1A1
SCHEMBL31204526 0.81 HTT (0.42) NPC1RAB9AKDM4EPDPK1HPGD
SCHEMBL20547006 0.81 PARP1 (0.42) NPC1RAB9AKDM4EPDPK1LMNA
SCHEMBL30353905 0.81 PARP1 (0.42) NPC1RAB9AKDM4EPDPK1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 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-20120220588-A1 QUINAZOLINE COMPOUNDS NQO2, PRMT7, QDPR NPC1 1557/4885RAB9A 74/4885KDM4E 2677/4885

“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.