SCHEMBL3117685

SCHEMBL3117685

CN(c1ccccc1)c1nc(N(C)c2ccccc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.66
EGFR P00533 4/20 0.60
PDGFRB P09619 3/20 0.54
KDR P35968 3/20 0.54
ABCG2 Q9UNQ0 1/20 0.51

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
Hydrochloric Acid SCHEMBL9776742 0.98 PDE5A (0.67) PDE5AEGFRPDGFRBKDRABCG2
Hydrochloric Acid SCHEMBL9776928 0.98 PDE5A (0.67) PDE5AEGFRPDGFRBKDRABCG2
SCHEMBL3121075 0.89 EGFR (0.57) PDE5AEGFRPDGFRBKDRABCG2
SCHEMBL22432715 0.81 PDE5A (0.64) PDE5AEGFRPDGFRBKDRABCG2
SCHEMBL3110618 0.81 EGFR (0.76) PDE5AEGFRPDGFRBKDRABCG2
SCHEMBL29909096 0.81 EGFR (0.76) PDE5AEGFRPDGFRBKDRABCG2
SCHEMBL23577970 0.80 PDE5A (0.59) PDE5AEGFRPDGFRBKDR
SCHEMBL29909159 0.80 PDE5A (0.59) PDE5AEGFRPDGFRBKDR
SCHEMBL1085418 0.79 PDE5A (1.00) PDE5AEGFRABCG2
Hydrochloric Acid SCHEMBL9776746 0.79 EGFR (0.74) PDE5AEGFRPDGFRBKDRABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064833-A Substituted quinazoline derivatives for use in gastrointestinal diseases SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) 1991-11-12 US claimed
EP-0322133-B1 QUINAZOLINE DERIVATIVES SmithKline Beecham Intercredit B.V. (NL) 1991-05-22 EP claimed
EP-0322133-A1 Quinazoline derivatives SmithKline Beecham Intercredit B.V. (NL) 1989-06-28 EP 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
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 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-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US disclosed
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US disclosed
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 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 (5 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 PDE5A 2855/4885EGFR 2915/4885PDGFRB 2620/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX PDE5A 2924/4885EGFR 3147/4885PDGFRB 2783/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX PDE5A 2855/4885EGFR 2915/4885PDGFRB 2620/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX PDE5A 2855/4885EGFR 2915/4885PDGFRB 2620/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX PDE5A 2855/4885EGFR 2915/4885PDGFRB 2620/4885

“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.