SCHEMBL979368

SCHEMBL979368

CCOc1ncccc1-c1cccc(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.59
CYP3A4 P08684 2/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.42
PSIP1 O75475 1/20 0.42
AXL P30530 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
ALOX5AP P20292 2/20 0.42
METAP2 P50579 2/20 0.42
PDE1A P54750 2/20 0.42
PDE1B Q01064 2/20 0.42
PDE1C Q14123 2/20 0.42
SCN9A Q15858 1/20 0.42
DHFR P00374 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL980447 0.84 MAP4K4 (0.63) MAP4K4CYP3A4NPC1MEN1PSIP1
SCHEMBL28195540 0.80 L3MBTL1 (0.47) MEN1METAP2PDE1APDE1BPDE1C
SCHEMBL31188514 0.79 TTK (0.52) MKNK1MKNK2METAP2FYN
SCHEMBL3659428 0.79 TTK (0.52) MKNK1MKNK2METAP2FYN
SCHEMBL8214958 0.77 ADRB2 (0.50) ALOX5APMETAP2PDE1APDE1BPDE1C
SCHEMBL3793105 0.76 PTPRC (0.55) MAP4K4CYP3A4TP53NPC1MEN1
SCHEMBL29983324 0.76 CYP19A1 (0.50) CYP3A4TP53NPC1MKNK1MKNK2
SCHEMBL29501200 0.76 PDE4B (0.46) MAP4K4METAP2
SCHEMBL11624257 0.76 MAP4K4 (0.69) MAP4K4NPC1MEN1PSIP1AXL
SCHEMBL6439412 0.75 SMN1; SMN2 (0.55) MAP4K4TP53NPC1MEN1USP7

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-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 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 (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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 MAP4K4 2317/4885CYP3A4 1573/4885TP53 39/4885

“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.