SCHEMBL3765577

SCHEMBL3765577

CC(=O)Nc1ccc(Nc2nnnc3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.64
KMT2A Q03164 10/20 0.64
KDM4E B2RXH2 7/20 0.64
MEN1 O00255 7/20 0.64
ALDH1A1 P00352 4/20 0.64
POLB P06746 5/20 0.61
KDM1A O60341 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MITF O75030 1/20 0.61
LMNA P02545 1/20 0.61
RAD52 P43351 1/20 0.61
RECQL P46063 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
RAB9A P51151 2/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TNKS O95271 1/20 0.54
ABCG2 Q9UNQ0 2/20 0.53
GFER P55789 1/20 0.51

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
SCHEMBL30715571 0.81 ABCG2 (0.78) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5564516 0.81 ABCG2 (0.78) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3757318 0.81 MEN1 (0.69) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL3757886 0.80 MEN1 (0.68) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL2164245 0.78 MEN1 (0.70) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3764035 0.77 KMT2A (0.58) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL13056960 0.77 CASP1 (0.59) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL17154400 0.76 KDM1A (1.00) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3768687 0.75 EGFR (0.71) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL15256347 0.75 MAPT (0.66) MAPTKMT2AKDM4EMEN1ALDH1A1

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 MAPT 2963/4885KMT2A 3884/4885KDM4E 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.