SCHEMBL3106572

SCHEMBL3106572

CCOc1ccc(C(N)c2nc(Cl)nc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
RAD52 P43351 1/20 0.46
SLC2A1 P11166 1/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 4/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GUSB P08236 1/20 0.43
GBA1 P04062 1/20 0.43
LMNA P02545 3/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3115622 0.90 GBA1 (0.46) KDM4EMAPTNPSR1POLBRAB9A
SCHEMBL3115132 0.86 MAPT (0.47) KDM4EMAPTKMT2ANPSR1L3MBTL1
SCHEMBL1685039 0.86 EGFR (0.52) KDM4EMAPTKMT2ANPSR1L3MBTL1
SCHEMBL3114972 0.85 MAPT (0.44) KDM4EMAPTKMT2ANPSR1L3MBTL1
Hydrochloric Acid SCHEMBL1685079 0.85 EGFR (0.51) KDM4EMAPTKMT2ANPSR1L3MBTL1
SCHEMBL3108301 0.84 KDM4E (0.41) KDM4EMAPTKMT2AALDH1A1GBA1
SCHEMBL3116112 0.84 MAPT (0.45) KDM4EMAPTKMT2ANPSR1L3MBTL1
SCHEMBL3113119 0.82 MAOA (0.42) KDM4EMAPTKMT2ANPSR1POLB
SCHEMBL3113247 0.81 ALDH1A1 (0.54) KDM4EMAPTKMT2ANPSR1L3MBTL1
SCHEMBL3106594 0.81 MAPT (0.42) KDM4EMAPTKMT2ANPSR1L3MBTL1

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
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-2006138608-A2 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2006-12-28 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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 KDM4E 3454/4885MAPT 1899/4885KMT2A 4350/4885
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDM4E 3071/4885MAPT 4163/4885KMT2A 3878/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDM4E 2866/4885MAPT 4082/4885KMT2A 3742/4885
US-20070249640-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP KDM4E 3454/4885MAPT 1899/4885KMT2A 4350/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDM4E 3071/4885MAPT 4163/4885KMT2A 3878/4885
US-20070249632-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP KDM4E 3454/4885MAPT 1899/4885KMT2A 4350/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX KDM4E 3071/4885MAPT 4163/4885KMT2A 3878/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDM4E 3071/4885MAPT 4163/4885KMT2A 3878/4885
US-20070259901-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP KDM4E 3454/4885MAPT 1899/4885KMT2A 4350/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDM4E 3071/4885MAPT 4163/4885KMT2A 3878/4885
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER CASP3, CASP7, BAD KDM4E 927/4885MAPT 2955/4885KMT2A 1677/4885

“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.