SCHEMBL2104553

SCHEMBL2104553

CON(C)C(=O)c1nc(-c2ccc(Br)cc2)cn1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
APP P05067 4/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
PAX8 Q06710 1/20 0.37
MCL1 Q07820 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM1 Q13255 1/20 0.35
LMNA P02545 1/20 0.34
SCN9A Q15858 1/20 0.34
RAD52 P43351 1/20 0.33
XDH P47989 1/20 0.33

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
SCHEMBL10269969 0.88 SMN1; SMN2 (0.40) KMT2AMEN1APPNPC1RAB9A
SCHEMBL13627042 0.87 APP (0.36) APPNPC1RAB9AKDM4EALDH1A1
SCHEMBL2103537 0.79 RXFP1 (0.49) APPNPC1RAB9APAX8MCL1
SCHEMBL2617447 0.79 NPC1 (0.43) KMT2AMEN1APPNPC1RAB9A
SCHEMBL13643251 0.77 FAAH (0.36) NPC1RAB9A
SCHEMBL2105331 0.75 HTT (0.52) KMT2AMEN1APPNPC1RAB9A
SCHEMBL14421603 0.73 RAB9A (0.43) KMT2AMEN1APPNPC1RAB9A
SCHEMBL2617430 0.71 ITGA4 (0.39) APPSCN9A
SCHEMBL13670740 0.70 MEN1 (0.51) KMT2AMEN1TDP1RAB9ARXFP1
SCHEMBL17810221 0.69 MEN1 (0.43) KMT2AMEN1TDP1NPC1RAB9A

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 52 patents — showing the first 20. 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-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
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-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 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-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 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-20070197640-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070197640-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
WO-2007056056-A2 MITOTIC KINESIN INHIBITORS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO 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-20070197640-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 KMT2A 1501/4885MEN1 1302/4885TDP1 217/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 KMT2A 1501/4885MEN1 1302/4885TDP1 217/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 KMT2A 1501/4885MEN1 1302/4885TDP1 217/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 KMT2A 1491/4885MEN1 1475/4885TDP1 231/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 KMT2A 1501/4885MEN1 1302/4885TDP1 217/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 KMT2A 1501/4885MEN1 1302/4885TDP1 217/4885

“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.