SCHEMBL3110770

SCHEMBL3110770

COc1ccc(N(C)c2ccnc3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.55
CASP14 P31944 1/20 0.55
CASP3 P42574 1/20 0.55
CASP2 P42575 1/20 0.55
CASP4 P49662 1/20 0.55
CASP5 P51878 1/20 0.55
CASP7 P55210 1/20 0.55
CASP9 P55211 1/20 0.55
CASP6 P55212 1/20 0.55
CASP8 Q14790 1/20 0.55
CASP12 Q6UXS9 1/20 0.55
CASP10 Q92851 1/20 0.55
EGFR P00533 3/20 0.53
PDGFRB P09619 2/20 0.53
KDR P35968 2/20 0.53
HTT P42858 2/20 0.51
CHKA P35790 1/20 0.51
MERTK Q12866 4/20 0.50
CSF1R P07333 2/20 0.46
GAK O14976 1/20 0.45

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
SCHEMBL6530619 0.84 CHKA (0.68) EGFRCHKACSF1RALDH1A1
SCHEMBL30522270 0.82 CHKA (0.69) EGFRKDRCHKACSF1RALDH1A1
SCHEMBL610392 0.82 CHKA (0.69) EGFRKDRCHKACSF1RALDH1A1
SCHEMBL13056982 0.78 CASP1 (0.60) CASP1CASP14CASP3CASP2CASP4
SCHEMBL3112121 0.77 EGFR (0.72) CASP1CASP14CASP3CASP2CASP4
SCHEMBL12048740 0.75 EGFR (0.51) CASP1CASP14CASP3CASP2CASP4
SCHEMBL13721231 0.75 CHKA (0.52) EGFRCHKAALDH1A1
SCHEMBL13720967 0.75 CHKA (0.52) EGFRCHKAALDH1A1
SCHEMBL13413770 0.74 EGFR (0.54) CASP1CASP14CASP3CASP2CASP4
SCHEMBL3113118 0.73 EGFR (0.57) CASP1CASP14CASP3CASP2CASP4

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 57 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-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-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. 2017-02-23 US disclosed
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. 2017-02-23 US disclosed
WO-2006074187-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2006-07-13 WO 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 (8 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 CASP1 17/4885CASP14 5/4885CASP3 2/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX CASP1 17/4885CASP14 5/4885CASP3 2/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX CASP1 17/4885CASP14 5/4885CASP3 2/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX CASP1 17/4885CASP14 5/4885CASP3 2/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX CASP1 17/4885CASP14 5/4885CASP3 2/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX CASP1 17/4885CASP14 5/4885CASP3 2/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX CASP1 17/4885CASP14 5/4885CASP3 2/4885
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER CASP3, CASP7, BAD CASP1 22/4885CASP14 4/4885CASP3 1/4885

“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.