SCHEMBL2106423

SCHEMBL2106423

[CH]1CCC(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 7/20 0.52
NPY5R Q15761 1/20 0.51
KMT2A Q03164 1/20 0.50
PKM P14618 1/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GFER P55789 1/20 0.48

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
SCHEMBL2276872 0.89 ALDH1A1 (0.59) HTR2BNPY5RKMT2APKMMAPT
Hydrochloric Acid SCHEMBL31596380 0.87 MAPT (0.57) HTR2BNPY5RKMT2APKMMAPT
SCHEMBL2674802 0.86 HTR2B (0.55) HTR2BNPY5RKMT2AMAPTPOLB
SCHEMBL6756134 0.86 NPC1 (0.59) HTR2BNPY5RKMT2AMAPTPOLB
SCHEMBL724921 0.84 NPC1 (0.62) HTR2BNPY5RMAPTPOLBKDM4E
SCHEMBL6757201 0.84 NPC1 (0.62) HTR2BNPY5RMAPTPOLBKDM4E
SCHEMBL2491336 0.83 HTR2B (0.52) HTR2BNPY5RKMT2APKMMAPT
SCHEMBL531889 0.83 PARP1 (0.52) HTR2BNPY5RKMT2APKMMAPT
SCHEMBL20677809 0.82 ALDH1A1 (0.52) HTR2BNPY5RKMT2APKMMAPT
SCHEMBL2640467 0.81 HTR2B (0.57) HTR2BKMT2APKMMAPTALDH1A1

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 18 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-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 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-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US disclosed
US-7618981-B2 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide CYTOKINETICS, INC. (US) 2009-11-17 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-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 US disclosed
US-20060094708-A1 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide CYTOKINETICS, INCORPORATED 2006-05-04 US disclosed
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 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 (9 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-20060094708-A1 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide KIF5B, KIF18A, KIF2C HTR2B 3520/4885NPY5R 4464/4885KMT2A 175/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HTR2B 4545/4885NPY5R 4795/4885KMT2A 1501/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 HTR2B 4571/4885NPY5R 4799/4885KMT2A 1491/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HTR2B 4545/4885NPY5R 4795/4885KMT2A 1501/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 HTR2B 4545/4885NPY5R 4795/4885KMT2A 1501/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 HTR2B 4545/4885NPY5R 4795/4885KMT2A 1501/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 HTR2B 4545/4885NPY5R 4795/4885KMT2A 1501/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 HTR2B 4571/4885NPY5R 4799/4885KMT2A 1491/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HTR2B 4545/4885NPY5R 4795/4885KMT2A 1501/4885

“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.