SCHEMBL1414934

SCHEMBL1414934

CN1Cc2c(ccc3cc(C(=O)c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)cn4)ccc23)C1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.41
CYP2C8 P10632 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31
ENPP2 Q13822 1/20 0.31

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
SCHEMBL1414841 0.80 CYP17A1 (0.49) CYP17A1CYP2C8
SCHEMBL1414881 0.78 CYP17A1 (0.45) CYP17A1CYP2C8SIRT2FLT3TYRO3
SCHEMBL1414929 0.78 SIRT2 (0.36) SIRT2
SCHEMBL4023986 0.78 VNN1 (0.36) SIRT2ENPP2
SCHEMBL4029004 0.76 NPC1 (0.37) ENPP2
SCHEMBL4030987 0.75 MEN1 (0.51) SIRT2ENPP2
SCHEMBL313125 0.74 ACSS2 (0.43) CYP17A1SIRT2
SCHEMBL4024355 0.74 SIRT2 (0.41) SIRT2
SCHEMBL5678341 0.74 KDM4E (0.46) SIRT2
SCHEMBL4031880 0.74 CTNNB1 (0.34) SIRT2ENPP2

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
EP-1344777-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE TAKEDA PHARMACEUTICAL (JP) 2011-03-16 EP disclosed
US-6960586-B2 Imidazole derivatives, process for their preparation and their use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-01 US disclosed
US-20040024039-A1 Imidazole derivatives, process for their preparation and their use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-05 US disclosed
EP-1344777-A1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 2003-09-17 EP 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 (1 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-20040024039-A1 Imidazole derivatives, process for their preparation and their use CYP17A1, HSD17B7, CYP51A1 CYP17A1 1/4885CYP2C8 137/4885SIRT2 2362/4885

“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.