SCHEMBL2715342

SCHEMBL2715342

N#Cc1ccc(NC(CC2CCCCC2)C(N)=O)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.38
CTSS P25774 2/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
CNR2 P34972 2/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
TSHR P16473 1/20 0.36
ADRB2 P07550 3/20 0.36
FPR2 P25090 1/20 0.36
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
XDH P47989 1/20 0.34

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
SCHEMBL2715339 1.00 CTSL (0.38) CTSLCTSSCTSBCTSKCNR2
SCHEMBL2714853 0.78 AAK1 (0.39) CTSLCTSSCTSBCTSKCNR2
SCHEMBL2714856 0.78 AAK1 (0.39) CTSLCTSSCTSBCTSKCNR2
SCHEMBL18925285 0.77 PLAU (0.35) CTSLCTSSCTSBCTSKMMP1
SCHEMBL2714211 0.76 CTSL (0.33) CTSLCTSSCTSBCTSKCNR2
SCHEMBL2714205 0.76 CTSL (0.33) CTSLCTSSCTSBCTSKCNR2
SCHEMBL2712370 0.76 CNR2 (0.40) CTSLCNR2ADRB2CNR1
SCHEMBL2714341 0.76 CTSS (0.41) CTSLCTSSCTSBCTSKMMP1
SCHEMBL2714346 0.76 CTSS (0.41) CTSLCTSSCTSBCTSKMMP1
SCHEMBL2712373 0.76 CNR2 (0.40) CTSLCNR2ADRB2CNR1

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 12 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
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
CN-103282352-B Benzamides and nicotinamide as SYK regulator 波托拉医药品公司 2016-08-10 CN disclosed
US-9359375-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150272956-A1 SUBSTITUTED XANTHINE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES, INC. 2015-10-01 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
EP-2635556-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 EP 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 (4 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 CTSL 1801/4885CTSS 1406/4885CTSB 1416/4885
US-20150272956-A1 SUBSTITUTED XANTHINE DERIVATIVES XDH, HPRT1, CXCR3 CTSL 2548/4885CTSS 3149/4885CTSB 2593/4885
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK CTSL 1801/4885CTSS 1406/4885CTSB 1416/4885
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK CTSL 1801/4885CTSS 1406/4885CTSB 1416/4885

“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.