SCHEMBL3764035

SCHEMBL3764035

CC(=O)Nc1ccc(Nc2cnnc3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.58
MAPT P10636 6/20 0.58
KDM4E B2RXH2 4/20 0.58
POLB P06746 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
KDM1A O60341 1/20 0.58
MITF O75030 1/20 0.58
LMNA P02545 1/20 0.58
RAD52 P43351 1/20 0.58
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PIK3CD O00329 2/20 0.52
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 2/20 0.51
ABCB1 P08183 1/20 0.49
ABCC1 P33527 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
DNMT1 P26358 1/20 0.47

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
SCHEMBL1116308 0.80 KDM1A (0.48) KMT2AMAPTKDM4EKDM1ARAD52
SCHEMBL529326 0.79 DNMT1 (0.73) KMT2AMAPTKDM4EPOLBL3MBTL1
SCHEMBL3759286 0.78 KDM1A (0.53) KMT2AMAPTKDM4EL3MBTL1KDM1A
SCHEMBL3765577 0.77 MAPT (0.64) KMT2AMAPTKDM4EPOLBL3MBTL1
SCHEMBL10000202 0.77 ERBB2 (0.58) KMT2AMAPTKDM4EPOLBL3MBTL1
SCHEMBL13057000 0.76 KMT2A (0.47) KMT2AMAPTKDM4EPOLBL3MBTL1
SCHEMBL3768687 0.76 EGFR (0.71) KMT2AMAPTKDM4EPOLBL3MBTL1
SCHEMBL13134229 0.74 ALDH1A1 (0.41) KMT2AMAPTKDM4EPOLBL3MBTL1
SCHEMBL17154400 0.74 KDM1A (1.00) KMT2AMAPTKDM4EPOLBL3MBTL1
SCHEMBL18879049 0.73 GPR3 (0.44) MAPTKDM4EL3MBTL1KDM1ALMNA

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 KMT2A 3884/4885MAPT 2963/4885KDM4E 3062/4885

“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.