SCHEMBL3113247

SCHEMBL3113247

Cc1ccc(C(N)c2nc(Cl)nc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
ADORA2A P29274 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 3/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
KDM1A O60341 1/20 0.39

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
SCHEMBL3113119 0.89 MAOA (0.42) ALDH1A1KDM4ENPC1RAB9AXBP1
SCHEMBL3106594 0.88 MAPT (0.42) ALDH1A1KDM4ENPC1RAB9AHTT
SCHEMBL3121144 0.85 POLB (0.38) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL1685039 0.85 EGFR (0.52) ALDH1A1KDM4ENPC1RAB9AHTT
SCHEMBL2262116 0.85 EGFR (0.43) ALDH1A1KDM4ENPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL1685079 0.83 EGFR (0.51) ALDH1A1KDM4EHTTNPSR1MAPT
SCHEMBL3108301 0.83 KDM4E (0.41) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL3106572 0.81 KDM4E (0.46) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL3106131 0.80 HTT (0.52) ALDH1A1KDM4ENPC1RAB9AXBP1
SCHEMBL9776728 0.79 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1RAB9AXBP1

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 32 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 ALDH1A1 1179/4885KDM4E 3071/4885NPC1 1585/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX ALDH1A1 1143/4885KDM4E 3217/4885NPC1 1660/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ALDH1A1 1131/4885KDM4E 2866/4885NPC1 1463/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ALDH1A1 1179/4885KDM4E 3071/4885NPC1 1585/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ALDH1A1 1179/4885KDM4E 3071/4885NPC1 1585/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX ALDH1A1 1179/4885KDM4E 3071/4885NPC1 1585/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ALDH1A1 1179/4885KDM4E 3071/4885NPC1 1585/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ALDH1A1 1179/4885KDM4E 3071/4885NPC1 1585/4885
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER CASP3, CASP7, BAD ALDH1A1 1152/4885KDM4E 927/4885NPC1 3285/4885

“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.