SCHEMBL3106594

SCHEMBL3106594

NC(c1ccc(Cl)cc1)c1nc(Cl)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 5/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
ALOX12 P18054 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
APP P05067 3/20 0.38
PDE5A O76074 1/20 0.38
GAA P10253 3/20 0.38
IDO1 P14902 2/20 0.38

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 0.92 MAOA (0.42) MAPTHTTMAOAMAOBKDM4E
SCHEMBL3113247 0.88 ALDH1A1 (0.54) MAPTHTTMAOAMAOBKDM4E
SCHEMBL3121144 0.88 POLB (0.38) MAPTHTTMAOAMAOBKDM4E
SCHEMBL3108301 0.85 KDM4E (0.41) MAPTHTTKDM4EALDH1A1KMT2A
SCHEMBL2262116 0.84 EGFR (0.43) MAPTKDM4ERAB9AALDH1A1MEN1
SCHEMBL1685039 0.84 EGFR (0.52) MAPTHTTKDM4ERAB9AALDH1A1
Hydrochloric Acid SCHEMBL1685079 0.83 EGFR (0.51) MAPTHTTKDM4EALDH1A1MEN1
SCHEMBL3106131 0.82 HTT (0.52) MAPTHTTKDM4ERAB9AALDH1A1
SCHEMBL3106572 0.81 KDM4E (0.46) MAPTKDM4ERAB9AALDH1A1KMT2A
SCHEMBL3110550 0.81 IGF1R (0.42) MAPTHTTRAB9AMEN1KMT2A

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 MAPT 4163/4885HTT 3187/4885MAOA 1886/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX MAPT 4241/4885HTT 2744/4885MAOA 1808/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX MAPT 4082/4885HTT 2787/4885MAOA 1886/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX MAPT 4163/4885HTT 3187/4885MAOA 1886/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX MAPT 4163/4885HTT 3187/4885MAOA 1886/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX MAPT 4163/4885HTT 3187/4885MAOA 1886/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX MAPT 4163/4885HTT 3187/4885MAOA 1886/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX MAPT 4163/4885HTT 3187/4885MAOA 1886/4885
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER CASP3, CASP7, BAD MAPT 2955/4885HTT 3587/4885MAOA 355/4885

“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.