SCHEMBL933149

SCHEMBL933149

CC(C)Oc1cc[c]cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.40
VEGFA P15692 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL2105498 0.82 SLC6A9 (0.35)
SCHEMBL1420151 0.81 KCNN4 (0.34)
SCHEMBL230031 0.79 ALDH1A1 (0.48)
SCHEMBL676940 0.78 ALDH1A1 (0.35)
SCHEMBL27712841 0.77 XDH (0.44) XDH
SCHEMBL9009037 0.76 ALDH1A1 (0.36)
SCHEMBL9009041 0.76 ALDH1A1 (0.36)
SCHEMBL1871847 0.75 GAA (0.50) XDH
SCHEMBL1230716 0.75 IRAK4 (0.32)
SCHEMBL29530994 0.75 GAA (0.50) XDH

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11465977-B2 Process for the preparation of sphingosine-1-phosphate receptor agonist Química Sintética, S.A. (ES) 2022-10-11 US claimed
US-20220033365-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2022-02-03 US claimed
EP-3856738-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2021-08-04 EP claimed
CN-109071506-B Substituted 2- (hetero) arylimidazolyl carboxamides as pest control agents 拜耳作物科学股份公司 2021-03-02 CN claimed
WO-2020064818-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2020-04-02 WO claimed
US-10544124-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-28 US claimed
US-20190047982-A1 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-14 US claimed
EP-3414236-A1 SUBSTITUIERTED 2-(HET)ARYL-IMIDAZOLYL-CARBOXYAMIDES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2018-12-19 EP claimed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US claimed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP claimed
EP-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 EP claimed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US claimed
US-20070197640-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-08-23 US claimed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US claimed
WO-2007056056-A2 MITOTIC KINESIN INHIBITORS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 EP claimed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 US claimed
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 claimed
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 WO claimed

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-20190047982-A1 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 XDH 584/4885VEGFA 3379/4885CYP11B1 1311/4885
US-20070197640-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 XDH 3591/4885VEGFA 4637/4885CYP11B1 2868/4885
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 XDH 4868/4885VEGFA 3948/4885CYP11B1 3275/4885
US-20070219192-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 XDH 3591/4885VEGFA 4637/4885CYP11B1 2868/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 XDH 3591/4885VEGFA 4637/4885CYP11B1 2868/4885
US-20220033365-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST S1PR1, S1PR4, S1PR3 XDH 4042/4885VEGFA 2128/4885CYP11B1 1525/4885
US-11465977-B2 Process for the preparation of sphingosine-1-phosphate receptor agonist S1PR1, S1PR4, S1PR3 XDH 4042/4885VEGFA 2128/4885CYP11B1 1525/4885
US-10544124-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 XDH 584/4885VEGFA 3379/4885CYP11B1 1311/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 XDH 3591/4885VEGFA 4637/4885CYP11B1 2868/4885

“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.