SCHEMBL3750774

SCHEMBL3750774

Cc1c(C(N)=O)cccc1-c1c[nH]c(=O)c(Nc2ccc(N3CCOCC3)nn2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
STK4 Q13043 1/20 0.40
STK3 Q13188 1/20 0.40
LRRK2 Q5S007 1/20 0.40
CNR2 P34972 3/20 0.39
KDM4E B2RXH2 2/20 0.38
PIK3CD O00329 2/20 0.38
PIK3C2B O00750 2/20 0.38
MTOR P42345 2/20 0.38
PIK3CG P48736 2/20 0.38
SYK P43405 1/20 0.38
PKM P14618 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL3753112 0.93 ACVR1 (0.39) NPC1RAB9ASTK4STK3LRRK2
SCHEMBL3740333 0.91 AURKA (0.39) NPC1RAB9A
SCHEMBL3750781 0.88 SYK (0.42) NPC1RAB9ACNR2KDM4EPIK3CD
SCHEMBL12956198 0.88 CNR2 (0.53) NPC1RAB9ASTK4STK3CNR2
SCHEMBL1038537 0.81 BTK (0.56) NPC1RAB9A
SCHEMBL3963743 0.81 BTK (0.54) RAB9AKDM4E
SCHEMBL3753118 0.81 CDK4 (0.37) NPC1RAB9ACNR2KDM4ESYK
SCHEMBL1038028 0.80 BTK (0.49) NPC1RAB9A
SCHEMBL1041076 0.79 BTK (0.50) RAF1BRAF
SCHEMBL1042485 0.79 BTK (0.43) NPC1RAB9APIK3CD

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-7838523-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2010-11-23 US disclosed
EP-2079726-A2 SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
US-20080153834-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof GILEAD CONNECTICUT, INC. 2008-06-26 US disclosed
WO-2008033857-A2 SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2008-03-20 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-20080153834-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof BTK, SYK, MYD88 NPC1 1118/4885RAB9A 2778/4885STK4 2659/4885

“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.