SCHEMBL1039939

SCHEMBL1039939

Cc1c(NC(=O)c2ccc(C(C)(C)C)nc2)cccc1-c1c[nH]c(=O)c(Nc2ccc(N3CCOCC3)nn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.51
RAF1 P04049 2/20 0.44
BRAF P15056 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CLK2 P49760 1/20 0.42
JAK2 O60674 1/20 0.41
INSR P06213 1/20 0.41
IGF1R P08069 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
SRC P12931 1/20 0.41
CYP2C19 P33261 1/20 0.41
FLT3 P36888 1/20 0.41
TEC P42680 1/20 0.41
TXK P42681 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
BMX P51813 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL1038537 0.91 BTK (0.56) BTKNPC1RAB9ACLK2JAK2
SCHEMBL1041076 0.87 BTK (0.50) BTKRAF1BRAFCLK2JAK2
SCHEMBL1041847 0.85 BTK (0.52) BTKCLK2JAK2INSRIGF1R
SCHEMBL1042485 0.84 BTK (0.43) BTKNPC1RAB9ASRCFLT3
SCHEMBL1038359 0.83 BTK (0.59) BTKSRCFLT3ITK
SCHEMBL1038542 0.83 BTK (0.48) BTK
SCHEMBL1041862 0.82 BTK (0.44) BTKRAF1BRAFNPC1RAB9A
SCHEMBL1038028 0.82 BTK (0.49) BTKNPC1RAB9ASRCTEC
SCHEMBL13044254 0.82 BTK (0.45) BTKNPC1RAB9AJAK2INSR
SCHEMBL1040923 0.82 BTK (0.42) BTKRAF1BRAFNPC1RAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079726-B1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS INC (US) 2011-01-26 EP disclosed
US-7838523-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2010-11-23 US disclosed
US-7838523-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2010-11-23 US disclosed
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
US-20080153834-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof GILEAD CONNECTICUT, INC. 2008-06-26 US 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 BTK 1/4885RAF1 542/4885BRAF 195/4885

“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.