SCHEMBL4843696

SCHEMBL4843696

CN(c1ccncc1)c1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.83
ABCG2 Q9UNQ0 4/20 0.67
ALDH1A1 P00352 3/20 0.62
CYP1A2 P05177 2/20 0.62
GLA P06280 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
TSHR P16473 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
MAPT P10636 4/20 0.60
KDM4E B2RXH2 2/20 0.60
LMNA P02545 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
RECQL P46063 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HIF1A Q16665 1/20 0.60

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
SCHEMBL1085418 0.91 PDE5A (1.00) PDE5AABCG2ALDH1A1CYP1A2GLA
SCHEMBL27721053 0.91 PDE5A (0.68) PDE5AABCG2ALDH1A1CYP1A2GLA
SCHEMBL27721055 0.85 PDE5A (0.76) PDE5AABCG2ALDH1A1CYP1A2GLA
SCHEMBL22201623 0.83 ABCG2 (0.86) PDE5AABCG2ALDH1A1CYP1A2GLA
SCHEMBL3121177 0.82 EGFR (0.68) PDE5AABCG2
SCHEMBL1063633 0.82 PDE5A (0.56) PDE5AABCG2ALDH1A1CYP1A2GLA
SCHEMBL3113356 0.82 PDE5A (0.76) PDE5AABCG2ALDH1A1CYP1A2GLA
SCHEMBL1083866 0.81 CYP2D6 (0.81) PDE5AABCG2ALDH1A1CYP1A2GLA
SCHEMBL23577267 0.81 EGFR (0.68) PDE5AABCG2GBA1
SCHEMBL30013655 0.81 EGFR (0.68) PDE5AABCG2GBA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345045-B2 Pyrido-pyrimidine compounds as medicaments SCIOS, INC. (US) 2008-03-18 US disclosed
CN-101102787-A Synthetic hyperglycosylated, and hyperglycosylated protease-resistant polypeptide variants, oral formulations and methods of using the same ALIOS BIOPHARMA INC (US) 2008-01-09 CN disclosed
EP-1107959-B1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC (US) 2006-10-11 EP disclosed
US-20050220784-A1 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-10-06 US disclosed
US-20050171123-A1 Quinazoline derivatives as medicaments SCIOS, INC. 2005-08-04 US disclosed
US-6903096-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-06-07 US disclosed
US-6476031-B1 Quinazoline derivatives as medicaments SCIOS, INC. 2002-11-05 US disclosed
US-6277989-B1 USEFUL IN TREATING CONDITIONS THAT ARE CHARACTERIZED BY ENHANCED P38 KINASE ACTIVITY AND/OR TRANSFORMING GROWTH FACTOR BETA (TGF-.BETA.) ACTIVITY SUCH AS INFLAMMATION, PROLIFERATIVE DISEASES, AND CERTAIN CARDIOVASCULAR DISORDERS SCIOS, INC. 2001-08-21 US disclosed
US-6184226-B1 ANTIINFLAMMATORY AGENTS FOR TREATMENT OF CARDIOVASCULAR SYSTEM DISORDERS/RESPIRATORY SYSTEM DISORDERS, ANTIISCHEMIC AGENTS SCIOS INC. 2001-02-06 US 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 (2 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-20050171123-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 PDE5A 1211/4885ABCG2 1096/4885ALDH1A1 3794/4885
US-20050220784-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 PDE5A 1211/4885ABCG2 1096/4885ALDH1A1 3794/4885

“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.