SCHEMBL1040923

SCHEMBL1040923

Cc1c(NC(=O)c2ccc3c(c2)COCC3(C)C)cccc1-c1c[nH]c(=O)c(Nc2ccc(N3CCOCC3)nn2)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.42
NPC1 O15118 10/20 0.41
RAB9A P51151 10/20 0.41
RAF1 P04049 2/20 0.38
BRAF P15056 2/20 0.38

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
SCHEMBL13044255 0.92 BTK (0.42) BTKNPC1RAB9ARAF1BRAF
SCHEMBL1038537 0.85 BTK (0.56) BTKNPC1RAB9A
SCHEMBL1039939 0.82 BTK (0.51) BTKNPC1RAB9ARAF1BRAF
SCHEMBL1042485 0.82 BTK (0.43) BTKNPC1RAB9A
SCHEMBL12956116 0.81 BTK (0.50) BTKRAB9A
SCHEMBL1038028 0.80 BTK (0.49) BTKNPC1RAB9A
SCHEMBL1041847 0.80 BTK (0.52) BTK
SCHEMBL1038372 0.79 FLT3 (0.53) BTK
SCHEMBL12956112 0.79 BTK (0.52) BTKRAB9A
SCHEMBL1038359 0.79 BTK (0.59) 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 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 1/4885NPC1 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.