SCHEMBL3106139

SCHEMBL3106139

CN(c1ccc([N+](=O)[O-])cc1)c1nc(Cl)nc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.72
▸ EGFR P00533 3/20 0.63
▸ PDGFRB P09619 3/20 0.63
▸ KDR P35968 3/20 0.63
▸ MAPT P10636 4/20 0.56
▸ POLB P06746 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ PDE5A O76074 2/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL30961066 0.88 MAPT (0.57) ABCG2EGFRPDGFRBKDRMAPT
SCHEMBL23577599 0.88 MAPT (0.57) ABCG2EGFRPDGFRBKDRMAPT
SCHEMBL29909639 0.86 ABCG2 (0.75) ABCG2EGFRPDGFRBKDRMAPT
SCHEMBL24721300 0.86 ABCG2 (0.75) ABCG2EGFRPDGFRBKDRMAPT
SCHEMBL30961086 0.86 OPRK1 (0.60) ABCG2EGFRPDGFRBKDRMAPT
SCHEMBL23577553 0.86 OPRK1 (0.60) ABCG2EGFRPDGFRBKDRMAPT
SCHEMBL3108708 0.86 ABCG2 (0.73) ABCG2EGFRPDGFRBKDRMAPT
SCHEMBL3110618 0.83 EGFR (0.76) ABCG2EGFRPDGFRBKDRMAPT
SCHEMBL29909096 0.83 EGFR (0.76) ABCG2EGFRPDGFRBKDRMAPT
SCHEMBL3106603 0.82 EGFR (0.74) ABCG2EGFRPDGFRBKDRPDE5A

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 51 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
CN-1984660-B 4-arylamino-quinazolines as activators of aspartic acid specificity cysteine protease and inducers of apoptosis MYRIAD GENETICS INC 2010-12-15 — — CN 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
CN-101287369-A Method for treating brain cancer MYRIAD GENETICS INC (US) 2008-10-15 — — CN 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
CN-1984660-A 4-arylamino-quinazolines as activators of aspartic acid specificity cysteine protease and inducers of apoptosis MYRIAD GENETICS INC (US) 2007-06-20 — — CN 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-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 ABCG2 1381/4885EGFR 2915/4885PDGFRB 2620/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ABCG2 1404/4885EGFR 2648/4885PDGFRB 2627/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ABCG2 1381/4885EGFR 2915/4885PDGFRB 2620/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ABCG2 1381/4885EGFR 2915/4885PDGFRB 2620/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX ABCG2 1381/4885EGFR 2915/4885PDGFRB 2620/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ABCG2 1381/4885EGFR 2915/4885PDGFRB 2620/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ABCG2 1381/4885EGFR 2915/4885PDGFRB 2620/4885
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER CASP3, CASP7, BAD ABCG2 3984/4885EGFR 1253/4885PDGFRB 2132/4885

“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.

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