SCHEMBL2617374

SCHEMBL2617374

CCOC(=O)c1nc(-c2ccc(Br)cc2)cn1CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TARBP2 Q15633 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CACNA1F O60840 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ CACNA1D Q01668 1/20 0.36
▸ CACNA1S Q13698 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ DUT P33316 1/20 0.35

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
SCHEMBL2617437 0.85 HTT (0.38) TARBP2HTTMAPTKMT2ARAB9A
SCHEMBL13637087 0.82 HTT (0.48) TARBP2HTTMAPTKMT2ARAB9A
SCHEMBL2617373 0.81 HTT (0.51) TARBP2HTTMAPTKMT2ARAB9A
SCHEMBL2630532 0.81 TARBP2 (0.41) TARBP2HTTMAPTKMT2ARAB9A
SCHEMBL2617375 0.78 DUT (0.36) MAPTRAB9ANPC1DUTSMN1; SMN2
SCHEMBL2617385 0.78 HTT (0.42) TARBP2HTTMAPTKMT2ARAB9A
SCHEMBL2105331 0.78 HTT (0.52) TARBP2HTTMAPTKMT2ARAB9A
SCHEMBL2630534 0.75 CYP19A1 (0.38) TARBP2HTTMAPTKMT2ARAB9A
SCHEMBL10269164 0.73 GABRA2 (0.44) TARBP2MAPTKMT2ARAB9AMEN1
SCHEMBL13430568 0.73 ATM (0.35) MAPK1

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 17 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 — — 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-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 — — 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-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-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 — — 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 (10 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 TARBP2 3273/4885HTT 1020/4885MAPT 294/4885
US-20070197640-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 TARBP2 3273/4885HTT 1020/4885MAPT 294/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 TARBP2 3500/4885HTT 1523/4885MAPT 330/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 TARBP2 3273/4885HTT 1020/4885MAPT 294/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 TARBP2 3273/4885HTT 1020/4885MAPT 294/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 TARBP2 3273/4885HTT 1020/4885MAPT 294/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 TARBP2 3273/4885HTT 1020/4885MAPT 294/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 TARBP2 3500/4885HTT 1523/4885MAPT 330/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 TARBP2 3273/4885HTT 1020/4885MAPT 294/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 TARBP2 3273/4885HTT 1020/4885MAPT 294/4885

“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.

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