SCHEMBL509566

SCHEMBL509566

COc1ccc(CNc2nccc3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.64
POLB P06746 1/20 0.64
NR2F2 P24468 1/20 0.64
APP P05067 2/20 0.57
NPC1 O15118 1/20 0.53
IGF1R P08069 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
OXTR P30559 1/20 0.52
CLK4 Q9HAZ1 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SLC2A1 P11166 1/20 0.51
NCF1 P14598 1/20 0.50
AURKA O14965 1/20 0.50
RPS6KB1 P23443 1/20 0.50

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
SCHEMBL10055014 0.88 WNT3A (0.54) EGFRPOLBNR2F2APPNPC1
SCHEMBL31473778 0.85 WNT3A (0.62) EGFRPOLBNR2F2APPNPC1
SCHEMBL6477749 0.84 EGFR (0.57) EGFRPOLBNR2F2APPNPC1
SCHEMBL31098952 0.84 EGFR (0.57) EGFRPOLBNR2F2APPNPC1
SCHEMBL15900574 0.82 NPC1 (0.58) EGFRPOLBNR2F2APPNPC1
Methane SCHEMBL9378754 0.82 EGFR (0.55) EGFRPOLBNR2F2APPNPC1
SCHEMBL27201465 0.82 MEN1 (0.53) EGFRPOLBNR2F2APPNPC1
SCHEMBL19631284 0.82 MAPT (0.53) EGFRPOLBKDM4EMAPTMEN1
SCHEMBL10055013 0.81 WNT3A (0.48) EGFRNR2F2NPC1KDM4EMAPT
SCHEMBL29372940 0.81 APP (0.57) EGFRPOLBNR2F2APPNPC1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106831575-A A kind of preparation method of the methyl alcohol of 1 aminoisoquinoline 6 北京六合宁远科技有限公司 2017-06-13 CN claimed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 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
CN-106831575-A A kind of preparation method of the methyl alcohol of 1 aminoisoquinoline 6 北京六合宁远科技有限公司 2017-06-13 CN disclosed
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-8314123-B2 5, 6, or 7-substituted -3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US 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
EP-0393926-B1 1-Aminoisoquinoline derivatives SMITHKLINE BEECHAM INTERCREDIT (NL) 1994-09-21 EP disclosed
US-5200417-A Administering to inhibait gastric acid secretion in mammals SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) 1993-04-06 US disclosed
EP-0393926-A1 1-Aminoisoquinoline derivatives SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1990-10-24 EP 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 EGFR 2915/4885POLB 1890/4885NR2F2 3424/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX EGFR 3147/4885POLB 1857/4885NR2F2 3701/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2648/4885POLB 1789/4885NR2F2 3292/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885POLB 1890/4885NR2F2 3424/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885POLB 1890/4885NR2F2 3424/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX EGFR 2915/4885POLB 1890/4885NR2F2 3424/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885POLB 1890/4885NR2F2 3424/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885POLB 1890/4885NR2F2 3424/4885

“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.