SCHEMBL1038372

SCHEMBL1038372

Cc1c(NC(=O)c2ccc(N3CCCCC3)cc2)cccc1-c1c[nH]c(=O)c(Nc2ccc(N3CCN(C)CC3)nn2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.53
ITK Q08881 9/20 0.53
SRC P12931 8/20 0.53
KIT P10721 7/20 0.53
AURKA O14965 2/20 0.53
TTK P33981 2/20 0.53
AURKB Q96GD4 2/20 0.53
INCENP Q9NQS7 2/20 0.53
BTK Q06187 3/20 0.53
ROCK1 Q13464 1/20 0.42
F10 P00742 5/20 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
SCHEMBL1038359 0.90 BTK (0.59) FLT3ITKSRCKITAURKA
SCHEMBL1038537 0.83 BTK (0.56) FLT3ITKSRCBTK
SCHEMBL1038542 0.81 BTK (0.48) AURKATTKAURKBINCENPBTK
SCHEMBL1042485 0.80 BTK (0.43) FLT3ITKSRCKITBTK
SCHEMBL3740333 0.80 AURKA (0.39) ITKKITAURKATTKAURKB
SCHEMBL12956114 0.80 BTK (0.50) FLT3ITKSRCKITBTK
SCHEMBL13044255 0.80 BTK (0.42) FLT3ITKSRCKITBTK
SCHEMBL3740338 0.80 AURKA (0.37) AURKATTKAURKBINCENPBTK
SCHEMBL1423845 0.79 BTK (0.41) AURKATTKAURKBINCENPBTK
SCHEMBL1041847 0.79 BTK (0.52) FLT3ITKSRCBTK

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
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
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 FLT3 30/4885ITK 487/4885SRC 85/4885

“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.