SCHEMBL4400239

SCHEMBL4400239

CN(C)C(=O)c1c[nH]c(-c2cc[c]cc2)n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
MAPT P10636 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP4K1 Q92918 4/20 0.32
LRRK2 Q5S007 1/20 0.32
KDM4A O75164 1/20 0.31
CYP3A4 P08684 3/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MAPK1 P28482 1/20 0.30
MALT1 Q9UDY8 1/20 0.30
DYRK1A Q13627 1/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL3461826 0.85 NPC1 (0.38)
SCHEMBL16661091 0.77 PIK3CD (0.38) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL3461664 0.76 RAD52 (0.42) KMT2AHDAC6MAPK1MALT1
SCHEMBL3462543 0.75 CYP1A2 (0.46) PKN1PKN2MAPTKMT2A
SCHEMBL2104875 0.75 CNR1 (0.39)
SCHEMBL3461765 0.73 TP53 (0.40) LRRK2DYRK1A
SCHEMBL3461990 0.72 ADORA3 (0.30)
SCHEMBL3462453 0.72 HPGD (0.45) MAPTKMT2A
SCHEMBL4404257 0.71 HSD11B1 (0.40) KMT2AABL1
SCHEMBL3462632 0.71 ADORA2A (0.46) KMT2A

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
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 US disclosed
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2009-12-17 US disclosed
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 US disclosed
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 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 (6 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-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 PKN1 369/4885PKN2 419/4885MAPT 294/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 PKN1 325/4885PKN2 347/4885MAPT 330/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 PKN1 369/4885PKN2 419/4885MAPT 294/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 PKN1 369/4885PKN2 419/4885MAPT 294/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 PKN1 369/4885PKN2 419/4885MAPT 294/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 PKN1 325/4885PKN2 347/4885MAPT 330/4885

“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.