Sugi Predict

Sugi Predict / Compounds / SCHEMBL10214931

SCHEMBL10214931

SCHEMBL10214931

[C-]#[N+]c1cc(C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)c(C#N)c2)C(=O)OCc2ccccc2)ccc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ CENPE Q02224 1/20 0.42
▸ GPR132 Q9UNW8 2/20 0.41
▸ XDH P47989 2/20 0.40
▸ LNPEP Q9UIQ6 2/20 0.39
▸ MBTPS1 Q14703 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ CTSB P07858 2/20 0.38
▸ CTSS P25774 2/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ ERAP2 Q6P179 1/20 0.37

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
SCHEMBL13430336 1.00 ACE (0.43) ACETP53MDM2CENPEGPR132
SCHEMBL2617298 0.92 ACE (0.43) ACETP53MDM2GPR132XDH
SCHEMBL2617296 0.88 CENPE (0.43) TP53MDM2CENPEXDHS1PR1
SCHEMBL10214932 0.88 CENPE (0.43) TP53MDM2CENPEXDHS1PR1
SCHEMBL2617288 0.85 ACE (0.43) ACETP53MDM2CENPEGPR132
SCHEMBL10214914 0.85 ACE (0.43) ACETP53MDM2CENPEGPR132
SCHEMBL2617297 0.76 ROCK2 (0.42) TP53MDM2CENPE
SCHEMBL10214921 0.76 ROCK2 (0.42) TP53MDM2CENPE
SCHEMBL13707865 0.76 PTPN1 (0.56) ACECTSBCTSSCTSK
SCHEMBL2617295 0.76 PTPN1 (0.56) ACECTSBCTSSCTSK

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-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 — — 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-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-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 (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-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ACE 4363/4885TP53 30/4885MDM2 1016/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 ACE 4363/4885TP53 30/4885MDM2 1016/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ACE 4363/4885TP53 30/4885MDM2 1016/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ACE 4363/4885TP53 30/4885MDM2 1016/4885

“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.