SCHEMBL3753112

SCHEMBL3753112

Cc1c(C(N)=O)cccc1-c1c[nH]c(=O)c(Nc2ccc(N3CCC(N4CCOCC4)CC3)nn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 2/20 0.37
CDK4 P11802 1/20 0.36
CDK6 Q00534 1/20 0.36
PARP1 P09874 2/20 0.35
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
LRRK2 Q5S007 1/20 0.34
BTK Q06187 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3C2B O00750 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL3750774 0.93 NPC1 (0.42) NPC1RAB9ASTK4STK3LRRK2
SCHEMBL3753118 0.89 CDK4 (0.37) NPC1RAB9AJAK2CDK4CDK6
SCHEMBL3740333 0.86 AURKA (0.39) NPC1RAB9AJAK2CDK4PARP1
SCHEMBL1041847 0.83 BTK (0.52) JAK2BTKCYP3A4CYP2C9CYP2C19
SCHEMBL3750781 0.82 SYK (0.42) NPC1RAB9ABTKPIK3CDPIK3C2B
SCHEMBL12956198 0.81 CNR2 (0.53) NPC1RAB9ASTK4STK3SYK
SCHEMBL1039140 0.80 BTK (0.48) RAB9ABTK
SCHEMBL3963743 0.77 BTK (0.54) RAB9ATYK2BTK
SCHEMBL3965808 0.77 PIK3CB (0.37) NPC1RAB9AJAK2STK4STK3
SCHEMBL3747925 0.77 BTK (0.42) BTK

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 ACVR1 4417/4885NPC1 1118/4885RAB9A 2778/4885

“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.