SCHEMBL4166582

SCHEMBL4166582

COc1ccc(CNc2nc3c(ccc4[nH]c(=O)c(C#N)cc43)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 1/20 0.44
GSK3B P49841 4/20 0.43
IDH1 O75874 4/20 0.42
MAPT P10636 3/20 0.40
ROCK2 O75116 1/20 0.39
GSK3A P49840 1/20 0.39
ROCK1 Q13464 1/20 0.39
PRKG1 Q13976 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
PDE5A O76074 1/20 0.39
EGFR P00533 1/20 0.38
POLB P06746 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FABP4 P15090 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
KDM4E B2RXH2 2/20 0.38
BLM P54132 1/20 0.38
TSHR P16473 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
SCHEMBL4163224 0.87 NPC1 (0.41) NPC1RAB9AGSK3BIDH1ROCK2
SCHEMBL4168076 0.85 MAPT (0.46) NPC1RAB9AIDH1MAPTPOLB
SCHEMBL4154216 0.83 SHMT2 (0.38) IDH1MAPTMEN1KMT2AKDM4E
SCHEMBL10967371 0.81 PIM1 (0.38) IDH1KDM4E
SCHEMBL4156006 0.79 CCNA2 (0.35) IDH1PDE5AEGFRKDM4EBLM
SCHEMBL4164023 0.77 ALDH1A1 (0.39) NPC1RAB9AIDH1POLBMEN1
SCHEMBL4159917 0.76 DYRK1A (0.47) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL4157701 0.74 PARP1 (0.42) IDH1MAPTPOLBKDM4EALDH1A1
SCHEMBL4148683 0.73 ALDH1A1 (0.42) NPC1RAB9AIDH1MAPTPOLB
SCHEMBL11018475 0.72 KDM4E (0.56) NPC1RAB9AMAPTROCK2ROCK1

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-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUG-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2009-05-07 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-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases APP, PSEN2, PSEN1 NPC1 200/4885RAB9A 2510/4885GSK3B 1007/4885

“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.