SCHEMBL3753939

SCHEMBL3753939

COc1ccc(CNc2nncc3cc(C)ccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
PDE5A O76074 1/20 0.48
MAP2K4 P45985 1/20 0.47
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
APP P05067 1/20 0.45
RXFP1 Q9HBX9 2/20 0.45
POLB P06746 2/20 0.45
CLK1 P49759 1/20 0.44
EGFR P00533 1/20 0.44
NR2F2 P24468 1/20 0.44

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
SCHEMBL3765296 0.90 TP53 (0.48) TP53PDE5AMAP2K4MEN1KMT2A
SCHEMBL3108720 0.86 MAP2K4 (0.61) TP53PDE5AMAP2K4HTTMEN1
SCHEMBL3758755 0.83 APP (0.57) TP53MEN1KMT2AAPPRXFP1
SCHEMBL29372940 0.83 APP (0.57) TP53MEN1KMT2AAPPRXFP1
SCHEMBL3759439 0.80 HTT (0.52) TP53PDE5AMAP2K4HTTMEN1
SCHEMBL3121603 0.79 MAP2K4 (0.58) TP53PDE5AMAP2K4HTTMEN1
SCHEMBL3758609 0.79 PDE5A (0.71) PDE5AMAP2K4HTTMEN1KMT2A
SCHEMBL3755765 0.79 PDE5A (0.65) PDE5AMAP2K4HTTMEN1KMT2A
SCHEMBL3755746 0.77 MEN1 (0.51) TP53PDE5AMAP2K4HTTMEN1
SCHEMBL3115102 0.75 HTT (0.56) TP53PDE5AHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833803-A4 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS INC (US) 2009-08-05 EP claimed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US claimed
EP-1833803-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP claimed
WO-2006074223-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 WO claimed
US-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 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-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP3, CASP2, CASP5 TP53 30/4885PDE5A 2196/4885MAP2K4 4149/4885

“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.