SCHEMBL753696

SCHEMBL753696

COc1ccn2cc(Cl)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 3/20 0.47
PKM P14618 2/20 0.47
TLR9 Q9NR96 7/20 0.46
TLR7 Q9NYK1 6/20 0.46
SUV39H2 Q9H5I1 6/20 0.41
MAPT P10636 1/20 0.41
METTL3 Q86U44 2/20 0.40
EPHX2 P34913 1/20 0.39
ALDH1A3 P47895 1/20 0.38

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
SCHEMBL29372987 0.82 BRD4 (0.36) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL7975599 0.81 KDM4E (0.51) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL29373485 0.79 TLR9 (0.47) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL31000102 0.79 NPC1 (0.47) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL22129495 0.79 TLR9 (0.52) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL28921407 0.79 RAB9A (0.64) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL29373192 0.78 SUV39H2 (0.43) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL13080337 0.77 METTL3 (0.49) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL13050350 0.77 TLR9 (0.46) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL8811617 0.77 SMN1; SMN2 (0.57) NPC1RAB9AKDM4EPKMSUV39H2

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-2022026935-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-02-03 WO disclosed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD NPC1 732/4885RAB9A 677/4885KDM4E 1665/4885

“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.