SCHEMBL3740338

SCHEMBL3740338

Cc1c(N)cccc1-c1c[nH]c(=O)c(Nc2ccc(N3CCN(C)CC3)nn2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CDK4 P11802 1/20 0.36
HTR3A P46098 2/20 0.36
BTK Q06187 1/20 0.36
CTSC P53634 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CG P48736 1/20 0.35
TNKS O95271 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
BPTF Q12830 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 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
SCHEMBL3750781 0.90 SYK (0.42) NPC1RAB9ABTKPIK3CDPIK3CG
SCHEMBL3740333 0.88 AURKA (0.39) AURKATTKAURKBINCENPNPC1
SCHEMBL3753118 0.85 CDK4 (0.37) NPC1RAB9ACDK4BTKJAK2
SCHEMBL3969654 0.85 BTK (0.50) CDK4BTKMAP4K1
SCHEMBL12956198 0.81 CNR2 (0.53) NPC1RAB9A
SCHEMBL1038359 0.81 BTK (0.59) AURKATTKAURKBINCENPBTK
SCHEMBL1038372 0.80 FLT3 (0.53) AURKATTKAURKBINCENPBTK
SCHEMBL3750774 0.78 NPC1 (0.42) NPC1RAB9APIK3CDPIK3CG
SCHEMBL1038542 0.78 BTK (0.48) AURKATTKAURKBINCENPBTK
SCHEMBL1423845 0.76 BTK (0.41) AURKATTKAURKBINCENPNPC1

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 AURKA 605/4885TTK 2348/4885AURKB 329/4885

“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.