SCHEMBL4711005

SCHEMBL4711005

CC(C)(C)n1nc(C2=CC=C2)c2cc(-c3ccccc3)c(=O)[nH]c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
HSP90AA1 P07900 1/20 0.35
P2RY6 Q15077 3/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PARP1 P09874 3/20 0.32
HSD17B10 Q99714 2/20 0.32
SRC P12931 2/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL4716032 0.81 KDM4E (0.42) KMT2ANPC1RAB9AP2RY6KDM4E
SCHEMBL4711002 0.74 MEN1 (0.36) MEN1KMT2ANPC1RAB9AATM
SCHEMBL4713994 0.69 KDM4E (0.53) NPC1RAB9AP2RY6KDM4EHTT
SCHEMBL4716805 0.66 KDM4E (0.43) KDM4EALDH1A1LMNAHTTPARP1
Hydrochloric Acid SCHEMBL4715473 0.65 JAK2 (0.39) MEN1KMT2ANPC1RAB9AATM
SCHEMBL239224 0.65 NPC1 (0.43) NPC1RAB9AKDM4EALDH1A1HTT
SCHEMBL2755157 0.62 RAB9A (0.46) MEN1KMT2ANPC1RAB9AATM
SCHEMBL236540 0.59 AURKA (0.38) NPC1RAB9AATMTRPV1KDM4E
SCHEMBL238557 0.59 RAB9A (0.39) MEN1KMT2ANPC1RAB9AATM
SCHEMBL4716030 0.59 PLAT (0.41) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641454-B1 PYRAZOLO[3,4-B]PYRIDIN-6-ONES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2008-10-01 EP disclosed
US-7300943-B2 GSK-3 inhibitors PFIZER INC. (US) 2007-11-27 US disclosed
US-20050026946-A1 GSK-3 inhibitors PFIZER INC 2005-02-03 US 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-20050026946-A1 GSK-3 inhibitors GSK3B, GSK3A, GSKIP MEN1 836/4885KMT2A 1729/4885NPC1 1306/4885

“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.