SCHEMBL5028086

SCHEMBL5028086

N#Cc1ccc(Nc2cc(Cl)ncc2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.45
MERTK Q12866 1/20 0.44
SYK P43405 1/20 0.40
ABCG2 Q9UNQ0 5/20 0.40
ABCB1 P08183 4/20 0.40
SRC P12931 1/20 0.39
GSK3B P49841 1/20 0.39
STK4 Q13043 1/20 0.39
IGF1R P08069 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
AURKA O14965 1/20 0.38
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL21600850 0.86 GAA (0.50) SYKSRCKDM4EALDH1A1GAA
SCHEMBL30379210 0.86 GAA (0.50) SYKSRCKDM4EALDH1A1GAA
SCHEMBL10250899 0.83 SRC (0.36) MAPKAPK2SRCSTK4KDM4EGAA
SCHEMBL30379953 0.81 VCAM1 (0.47) MERTKGSK3BALDH1A1RAB9A
SCHEMBL5027836 0.78 TBK1 (0.49) MAPKAPK2SYKSRCKDM4EAURKA
SCHEMBL4403249 0.77 TBK1 (0.40) SYK
SCHEMBL12281214 0.74 ROCK2 (0.38) SRC
SCHEMBL5027925 0.73 CTSK (0.49)
SCHEMBL13384743 0.72 KCNQ3 (0.47) MAPKAPK2SRCKDM4EALDH1A1GAA
SCHEMBL14842083 0.71 GRM5 (0.48) SYKGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902688-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9359375-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8846928-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 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 (3 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-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK MAPKAPK2 960/4885MERTK 12/4885SYK 1/4885
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK MAPKAPK2 960/4885MERTK 12/4885SYK 1/4885
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK MAPKAPK2 960/4885MERTK 12/4885SYK 1/4885

“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.