SCHEMBL1038028

SCHEMBL1038028

Cc1c(NC(=O)c2cc3ccccc3s2)cccc1-c1c[nH]c(=O)c(Nc2ccc(N3CCOCC3)nn2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.49
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
DHPS P49366 1/20 0.38
FGR P09769 1/20 0.38
SRC P12931 1/20 0.38
TEC P42680 1/20 0.38
BMX P51813 1/20 0.38
ATM Q13315 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR3A P46098 1/20 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
SCHEMBL12956112 0.88 BTK (0.52) BTKRAB9ABMX
SCHEMBL12956116 0.87 BTK (0.50) BTKRAB9ABMX
SCHEMBL1038537 0.85 BTK (0.56) BTKRAB9ANPC1SRCTEC
SCHEMBL1039140 0.83 BTK (0.48) BTKRAB9ABMX
SCHEMBL1041076 0.82 BTK (0.50) BTKSRCTECBMX
SCHEMBL1039939 0.82 BTK (0.51) BTKRAB9ANPC1SRCTEC
SCHEMBL13044255 0.81 BTK (0.42) BTKRAB9ANPC1SRC
SCHEMBL12956198 0.81 CNR2 (0.53) RAB9ANPC1
SCHEMBL1042485 0.81 BTK (0.43) BTKRAB9ANPC1SRCBMX
SCHEMBL1040923 0.80 BTK (0.42) BTKRAB9ANPC1

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 5 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-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

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 1/4885RAB9A 2778/4885NPC1 1118/4885

“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.