SCHEMBL3757318

SCHEMBL3757318

c1ccc(Nc2nnnc3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
RAB9A P51151 1/20 0.69
CTDSP1 Q9GZU7 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
ABCG2 Q9UNQ0 3/20 0.58
NPY5R Q15761 3/20 0.58
CLK4 Q9HAZ1 3/20 0.58
DAPK3 O43293 1/20 0.58
MAP4K4 O95819 1/20 0.58
ABL1 P00519 1/20 0.58
EGFR P00533 1/20 0.58
ERBB2 P04626 1/20 0.58
PIM1 P11309 1/20 0.58
PRKACA P17612 1/20 0.58
LTK P29376 1/20 0.58
MAPK8 P45983 1/20 0.58
CSNK1A1 P48729 1/20 0.58
RPS6KA3 P51812 1/20 0.58
LIMK1 P53667 1/20 0.58

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
SCHEMBL3757886 0.87 MEN1 (0.68) MEN1KMT2ARAB9ACTDSP1TDP1
SCHEMBL2164245 0.86 MEN1 (0.70) MEN1KMT2ARAB9ACTDSP1TDP1
SCHEMBL2164209 0.82 EGFR (0.65) MEN1KMT2ARAB9ACTDSP1TDP1
SCHEMBL2163049 0.81 MEN1 (0.56) MEN1KMT2ARAB9ACTDSP1TDP1
SCHEMBL3761733 0.81 EGFR (0.63) MEN1KMT2ARAB9ACTDSP1TDP1
SCHEMBL2163688 0.81 MEN1 (0.60) MEN1KMT2ARAB9ACTDSP1TDP1
SCHEMBL3765577 0.81 MAPT (0.64) MEN1KMT2ARAB9ACTDSP1TDP1
SCHEMBL3754426 0.79 ABCG2 (0.57) MEN1KMT2ARAB9ACTDSP1TDP1
SCHEMBL2163410 0.78 RAB9A (0.68) MEN1KMT2ARAB9ACTDSP1TDP1
SCHEMBL23888750 0.77 HSD17B10 (0.55) MEN1KMT2ARAB9ATDP1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 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
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 disclosed
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 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 MEN1 2839/4885KMT2A 3884/4885RAB9A 3362/4885

“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.