SCHEMBL3119451

SCHEMBL3119451

COc1ccc(CNc2nc(NCCNC(C)=O)nc3ccc(C)cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 17/20 0.54
TCF7L2 Q9NQB0 17/20 0.54
APP P05067 1/20 0.46
ACHE P22303 1/20 0.46
SLC2A1 P11166 1/20 0.46

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
SCHEMBL3125240 0.85 CTNNB1 (0.55) CTNNB1TCF7L2APPACHESLC2A1
SCHEMBL3114944 0.83 CTNNB1 (0.56) CTNNB1TCF7L2APPACHESLC2A1
SCHEMBL3120956 0.81 CTNNB1 (0.51) CTNNB1TCF7L2APPSLC2A1
SCHEMBL3119458 0.80 TUBB4A (0.46)
SCHEMBL3115014 0.79 PDE5A (0.52) CTNNB1TCF7L2APPACHESLC2A1
SCHEMBL3106463 0.79 CCNE2 (0.58) CTNNB1TCF7L2APPACHESLC2A1
SCHEMBL3119112 0.78 APP (0.61) APPACHESLC2A1
SCHEMBL3115949 0.77 HRH4 (0.54) CTNNB1TCF7L2APPSLC2A1
SCHEMBL3125281 0.77 APP (0.59) CTNNB1TCF7L2APPACHESLC2A1
SCHEMBL3116762 0.77 ACHE (0.78) APPACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 US claimed
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 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 (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-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MKI67, CCNI, CCNA1 CTNNB1 1747/4885TCF7L2 2965/4885APP 3879/4885

“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.