SCHEMBL3115136

SCHEMBL3115136

CCOc1ccc(NCc2nc(C)nc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
KDM4E B2RXH2 3/20 0.56
POLB P06746 1/20 0.56
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
RAD52 P43351 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SLC2A1 P11166 1/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
TP53 P04637 4/20 0.48
TBK1 Q9UHD2 1/20 0.46

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
Hydrochloric Acid SCHEMBL3109986 0.86 MAPT (0.52) MAPTKMT2AL3MBTL1KDM4EPOLB
SCHEMBL3114787 0.85 MAPT (0.46) MAPTKMT2AL3MBTL1KDM4EPOLB
SCHEMBL3107641 0.83 MAPT (0.56) MAPTKMT2AL3MBTL1KDM4EPOLB
SCHEMBL3115047 0.82 GAA (0.43) MAPTKMT2AL3MBTL1KDM4EPOLB
SCHEMBL2256176 0.81 KDM1A (0.48) MAPTL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL3119420 0.81 MEN1 (0.49) MAPTKMT2AL3MBTL1KDM4EPOLB
SCHEMBL3109892 0.81 RAB9A (0.49) MAPTKMT2AKDM4ENPSR1RAB9A
SCHEMBL2259989 0.79 KDM1A (0.52) MAPTKMT2AL3MBTL1KDM4ENPSR1
SCHEMBL3114887 0.79 KMT2A (0.67) MAPTKMT2AL3MBTL1KDM4EPOLB
SCHEMBL3122188 0.79 ATM (0.51) MAPTKMT2ARAB9ANPC1LMNA

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 42 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-20090069350-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-03-12 US claimed
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2008-02-28 US claimed
EP-1890677-A2 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-02-27 EP claimed
US-20070259901-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-11-08 US claimed
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 US claimed
US-20070249632-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 US claimed
US-20070249640-A1 PHARMACEUTICAL COMPOSITIONS AND 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
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-2006138608-A2 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2006-12-28 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
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 (12 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-20090069350-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP MAPT 1899/4885KMT2A 4350/4885L3MBTL1 3892/4885
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX MAPT 4163/4885KMT2A 3878/4885L3MBTL1 117/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX MAPT 4082/4885KMT2A 3742/4885L3MBTL1 126/4885
US-20070249640-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP MAPT 1899/4885KMT2A 4350/4885L3MBTL1 3892/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX MAPT 4163/4885KMT2A 3878/4885L3MBTL1 117/4885
US-20070249632-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP MAPT 1899/4885KMT2A 4350/4885L3MBTL1 3892/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX MAPT 4163/4885KMT2A 3878/4885L3MBTL1 117/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX MAPT 4163/4885KMT2A 3878/4885L3MBTL1 117/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX MAPT 4163/4885KMT2A 3878/4885L3MBTL1 117/4885
US-20070259901-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP MAPT 1899/4885KMT2A 4350/4885L3MBTL1 3892/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX MAPT 4163/4885KMT2A 3878/4885L3MBTL1 117/4885
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER CASP3, CASP7, BAD MAPT 2955/4885KMT2A 1677/4885L3MBTL1 716/4885

“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.