SCHEMBL3753118

SCHEMBL3753118

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.37
CDK6 Q00534 1/20 0.37
SYK P43405 2/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CNR2 P34972 3/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
CYP1A2 P05177 1/20 0.34
BTK Q06187 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33

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 0.93 SYK (0.42) SYKCNR2KDM4EPKMNPC1
SCHEMBL3753112 0.89 ACVR1 (0.39) CDK4CDK6SYKCYP3A4CYP2D6
SCHEMBL3740338 0.85 AURKA (0.37) CDK4NPC1RAB9ABTKJAK2
SCHEMBL12956198 0.84 CNR2 (0.53) SYKCNR2KDM4EPKMNPC1
SCHEMBL1041847 0.83 BTK (0.52) CYP3A4CYP2C9CYP2C19BTKJAK2
SCHEMBL3750774 0.81 NPC1 (0.42) SYKCNR2KDM4EPKMNPC1
SCHEMBL1039140 0.80 BTK (0.48) KDM4ERAB9ABTKALDH1A1JAK3
SCHEMBL1038537 0.75 BTK (0.56) CYP3A4CYP2C9CYP2C19NPC1RAB9A
SCHEMBL3747935 0.74 BTK (0.42) BTK
SCHEMBL5124318 0.74 BTK (0.55) KDM4ERAB9ABTK

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 CDK4 774/4885CDK6 273/4885SYK 2/4885

“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.