SCHEMBL3106597

SCHEMBL3106597

Clc1ccc(CNc2nc(Cl)nc3ccccc23)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.85
PDE5A O76074 3/20 0.85
EGFR P00533 1/20 0.65
RAD52 P43351 1/20 0.60
USP1 O94782 2/20 0.60
WDR48 Q8TAF3 2/20 0.60
KMT2A Q03164 3/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
PKM P14618 1/20 0.59
UBE2N P61088 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RCE1 Q9Y256 1/20 0.59
POLB P06746 1/20 0.57
MEN1 O00255 2/20 0.56
GBA1 P04062 1/20 0.56
ATM Q13315 1/20 0.56
BCHE P06276 1/20 0.55

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
SCHEMBL3113122 0.92 APP (1.00) APPPDE5AEGFRRAD52KMT2A
SCHEMBL29388255 0.92 APP (1.00) APPPDE5AEGFRRAD52KMT2A
SCHEMBL3121152 0.88 APP (0.81) APPPDE5ARAD52KMT2ALMNA
SCHEMBL3113251 0.88 APP (0.81) APPPDE5ARAD52KMT2ALMNA
SCHEMBL3782735 0.88 APP (0.81) APPPDE5ARAD52USP1WDR48
SCHEMBL16280938 0.88 RAD52 (0.79) APPPDE5AEGFRRAD52KMT2A
SCHEMBL2590671 0.87 RAD52 (0.82) APPPDE5AEGFRRAD52KMT2A
SCHEMBL3108304 0.86 APP (0.76) APPPDE5ARAD52KMT2ALMNA
SCHEMBL21055802 0.85 PDE5A (0.76) APPPDE5ARAD52KMT2ALMNA
Hydrochloric Acid SCHEMBL3636898 0.85 KDM4E (0.83) APPPDE5AEGFRRAD52KMT2A

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258145-B2 Method of treating brain cancer MYREXIS, INC. (US) 2012-09-04 US claimed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US claimed
US-7618975-B2 4-arylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYRIAD PHARMACEUTICALS, INC. (US) 2009-11-17 US claimed
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2008-02-28 US claimed
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 US claimed
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US claimed
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US claimed
EP-1833511-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2007-09-19 EP claimed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US claimed
JP-2007524637-A 2007-08-30 JP claimed
WO-2006074187-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2006-07-13 WO claimed
EP-1660092-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Myriad Genetics, Inc. (US) 2006-05-31 EP claimed
US-20050137213-A1 Compounds and therapeutical use thereof MYRIAD GENETICS, INCORPORATED (US) 2005-06-23 US claimed
WO-2005003100-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS MYRIAD GENETICS, INC. (US) 2005-01-13 WO claimed
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. 2017-02-23 US disclosed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
EP-1660092-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Myriad Genetics, Inc. (US) 2006-05-31 EP disclosed
US-20050137213-A1 Compounds and therapeutical use thereof MYRIAD GENETICS, INCORPORATED (US) 2005-06-23 US disclosed
WO-2005003100-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS MYRIAD GENETICS, INC. (US) 2005-01-13 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 (9 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-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885PDE5A 2855/4885EGFR 2915/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX APP 2989/4885PDE5A 2924/4885EGFR 3147/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3261/4885PDE5A 3000/4885EGFR 2648/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885PDE5A 2855/4885EGFR 2915/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885PDE5A 2855/4885EGFR 2915/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX APP 3339/4885PDE5A 2855/4885EGFR 2915/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885PDE5A 2855/4885EGFR 2915/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885PDE5A 2855/4885EGFR 2915/4885
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER CASP3, CASP7, BAD APP 4555/4885PDE5A 1796/4885EGFR 1253/4885

“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.