SCHEMBL313125

SCHEMBL313125

CNC(=O)c1ccc2cc(C(=O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 4/20 0.43
CYP17A1 P05093 7/20 0.42
CYP3A4 P08684 3/20 0.42
PLK1 P53350 1/20 0.41
PLAU P00749 1/20 0.40
SIRT2 Q8IXJ6 4/20 0.38
BAZ2B Q9UIF8 1/20 0.36
BRD4 O60885 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP21A2 P08686 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGDS O60760 1/20 0.36

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
SCHEMBL4024355 0.87 SIRT2 (0.41) ACSS2SIRT2
SCHEMBL4030987 0.85 MEN1 (0.51) SIRT2CYP1A2
SCHEMBL5678341 0.84 KDM4E (0.46) CYP3A4PLAUSIRT2CYP1A2CYP2C19
SCHEMBL5682251 0.83 LMNA (0.42) ACSS2SIRT2
SCHEMBL28415779 0.82 BRD4 (0.40) ACSS2SIRT2BAZ2BBRD4
SCHEMBL312503 0.82 HPGD (0.42) SIRT2
SCHEMBL7539383 0.81 SIRT2 (0.33) CYP3A4SIRT2CYP1A2CYP2C19
SCHEMBL4025339 0.81 CYP17A1 (0.53) ACSS2CYP17A1CYP3A4PLK1PLAU
SCHEMBL4024513 0.80 CA12 (0.38) SIRT2
SCHEMBL313050 0.80 ACSS2 (0.42) ACSS2CYP17A1CYP3A4PLK1PLAU

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005780-B2 Production method of imidazole derivatives TAKEDA PHARMACEUTICAL COMPANY (JP) 2018-06-26 US disclosed
US-20160244454-A1 PRODUCTION METHOD OF IMIDAZOLE DERIVATIVES TAKEDA PHARMACEUTICALS CO (JP) 2016-08-25 US disclosed
US-9278938-B2 Production method of imidazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-08 US disclosed
EP-2721010-B1 PRODUCTION METHOD OF IMIDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-09-09 EP disclosed
EP-2721010-A1 PRODUCTION METHOD OF IMIDAZOLE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2014-04-23 EP disclosed
US-20140100373-A1 PRODUCTION METHOD OF IMIDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-10 US disclosed
US-8586762-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-19 US disclosed
WO-2012173280-A1 PRODUCTION METHOD OF IMIDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-20 WO disclosed
EP-1471056-B1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-07-11 EP disclosed
US-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
US-8093403-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-10 US disclosed
EP-2275411-A2 Reformatsky Reagent in Stable Form and Process for Producing the Same Takeda Pharmaceutical Company Limited (JP) 2011-01-19 EP disclosed
US-20100105922-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-7662974-B2 reduction of carboxylic acid ester using metal hydride complexes and metal halides to form compounds such as ethyl (3S)-3-hydroxy-3-{6-[(methylamino)carbonyl]-2-naphthyl}-3-(1-trityl-1H-imidazol-4-yl)propanoate, used as lyase enzyme inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-16 US disclosed
EP-1222174-B1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA PHARMACEUTICAL (JP) 2009-05-27 EP disclosed
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 US disclosed
EP-1471056-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME Takeda Chemical Industries, Ltd. (JP) 2004-10-27 EP disclosed
US-6649643-B1 Antitumor, anticarcinogenic, and antimetastasis agents; benign prostatic hyperplasia, alopecia, endometriosis, uterine myoma, hirsutism, virilism, precocious puberty, mastopathy, and polycystic overay syndrome treatment TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-18 US disclosed
EP-1222174-A1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE Takeda Chemical Industries, Ltd. (JP) 2002-07-17 EP disclosed
WO-2001030762-A1 IMIDAZOL-4-YLMETHANOLS USE AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-03 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 (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-20160244454-A1 PRODUCTION METHOD OF IMIDAZOLE DERIVATIVES GRIK4, PPIP5K2, IP6K2 ACSS2 4012/4885CYP17A1 953/4885CYP3A4 11/4885
US-10005780-B2 Production method of imidazole derivatives GRIK4, PPIP5K2, IP6K2 ACSS2 4012/4885CYP17A1 953/4885CYP3A4 11/4885
US-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 ACSS2 1983/4885CYP17A1 1/4885CYP3A4 136/4885
US-20140100373-A1 PRODUCTION METHOD OF IMIDAZOLE DERIVATIVES GRIK4, PPIP5K2, IP6K2 ACSS2 4012/4885CYP17A1 953/4885CYP3A4 11/4885
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same CYP17A1, HSD17B7, HSD17B1 ACSS2 1989/4885CYP17A1 1/4885CYP3A4 135/4885
US-20100105922-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 ACSS2 1983/4885CYP17A1 1/4885CYP3A4 136/4885

“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.