SCHEMBL313247

SCHEMBL313247

CNC(=O)c1ccc2cc([C@@](O)(CC(=O)OC(C)(C)C)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.42
CYP3A4 P08684 3/20 0.42
RIPK1 Q13546 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
ACSS2 Q9NR19 4/20 0.37
SIRT2 Q8IXJ6 5/20 0.36
PTPN1 P18031 2/20 0.34
PTPRC P08575 2/20 0.32
KIF11 P52732 1/20 0.32

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
SCHEMBL312978 0.92 CYP17A1 (0.41) CYP17A1CYP3A4ACSS2SIRT2PTPN1
SCHEMBL314420 0.90 CYP17A1 (0.40) CYP17A1CYP3A4ACSS2SIRT2PTPN1
SCHEMBL312425 0.90 CYP17A1 (0.40) CYP17A1CYP3A4ACSS2SIRT2PTPN1
SCHEMBL2946274 0.89 CYP17A1 (0.43) CYP17A1CYP3A4ACSS2SIRT2PTPN1
SCHEMBL313156 0.89 CYP17A1 (0.39) CYP17A1CYP3A4ACSS2SIRT2PTPN1
SCHEMBL4024970 0.87 CYP17A1 (0.44) CYP17A1CYP3A4ACSS2SIRT2PTPN1
SCHEMBL4033375 0.85 CYP17A1 (0.43) CYP17A1CYP3A4ACSS2SIRT2PTPN1
SCHEMBL313034 0.85 CYP17A1 (0.43) CYP17A1CYP3A4ACSS2SIRT2PTPN1
SCHEMBL312882 0.85 CYP17A1 (0.43) CYP17A1CYP3A4ACSS2SIRT2PTPN1
SCHEMBL4028443 0.84 CYP17A1 (0.42) CYP17A1CYP3A4ACSS2SIRT2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 CYP17A1 1/4885CYP3A4 136/4885RIPK1 475/4885
US-20100105922-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 CYP17A1 1/4885CYP3A4 136/4885RIPK1 475/4885

“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.