SCHEMBL3108468

SCHEMBL3108468

COc1cccc(CNc2nc(Cl)nc3ccccc23)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.74
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
PDE5A O76074 2/20 0.69
MAPK1 P28482 3/20 0.66
USP2 O75604 3/20 0.66
LMNA P02545 3/20 0.66
CYP1A2 P05177 3/20 0.66
CYP3A4 P08684 3/20 0.66
CYP2D6 P10635 3/20 0.66
TSHR P16473 3/20 0.66
CYP2C19 P33261 3/20 0.66
CLK4 Q9HAZ1 2/20 0.66
CYP2C9 P11712 2/20 0.66
ALDH1A1 P00352 1/20 0.66
HSD17B10 Q99714 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 1/20 0.64
ACP1 P24666 1/20 0.57
SLC2A1 P11166 1/20 0.55

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
SCHEMBL2587104 0.86 APP (0.76) APPMEN1KMT2AMAPK1USP2
SCHEMBL4867976 0.86 APP (0.76) APPMEN1KMT2AMAPK1USP2
SCHEMBL1685041 0.86 APP (0.74) APPPDE5AMAPK1USP2LMNA
Hydrochloric Acid SCHEMBL1685081 0.85 APP (0.72) APPKMT2APDE5AMAPK1USP2
SCHEMBL21055800 0.85 EGFR (0.67) APPMEN1KMT2APDE5AMAPK1
SCHEMBL4865131 0.84 CYP1A2 (0.87) APPMEN1KMT2APDE5AMAPK1
SCHEMBL4866326 0.84 APP (0.73) APPMEN1KMT2AMAPK1USP2
SCHEMBL4863831 0.84 CYP1A2 (0.74) APPMEN1KMT2APDE5AMAPK1
SCHEMBL12170172 0.84 KCNA5 (0.59) APPMEN1KMT2APDE5AMAPK1
SCHEMBL4863020 0.83 APP (0.71) APPMEN1KMT2AMAPK1USP2

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 30 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
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
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
US-8258145-B2 Method of treating brain cancer MYREXIS, INC. (US) 2012-09-04 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 (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 APP 3339/4885MEN1 2153/4885KMT2A 3878/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX APP 2989/4885MEN1 2032/4885KMT2A 4023/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3261/4885MEN1 1979/4885KMT2A 3742/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885MEN1 2153/4885KMT2A 3878/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885MEN1 2153/4885KMT2A 3878/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX APP 3339/4885MEN1 2153/4885KMT2A 3878/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885MEN1 2153/4885KMT2A 3878/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885MEN1 2153/4885KMT2A 3878/4885
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER CASP3, CASP7, BAD APP 4555/4885MEN1 1818/4885KMT2A 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.