SCHEMBL1064854

SCHEMBL1064854

c1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 1.00
CYP3A4 P08684 10/20 1.00
CYP2D6 P10635 9/20 1.00
CYP2C19 P33261 8/20 1.00
ALDH1A1 P00352 7/20 1.00
PDE5A O76074 5/20 1.00
CYP2C9 P11712 3/20 1.00
POLB P06746 2/20 1.00
HSD17B10 Q99714 7/20 0.93
TSHR P16473 7/20 0.93
MAPK1 P28482 6/20 0.93
CLK4 Q9HAZ1 5/20 0.93
MEN1 O00255 11/20 0.85
KMT2A Q03164 11/20 0.85
LMNA P02545 4/20 0.85
USP2 O75604 4/20 0.85
TP53 P04637 2/20 0.85
GBA1 P04062 2/20 0.85
PTGS1 P23219 2/20 0.85
TBXAS1 P24557 2/20 0.85

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
SCHEMBL7277274 0.96 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL7286130 0.92 PDE5A (1.00) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL14262933 0.92 CYP1A2 (0.84) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL1083763 0.87 PDE5A (1.00) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL7277479 0.85 PDE5A (1.00) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL1062736 0.85 PDE5A (0.89) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL1083926 0.84 MAPT (1.00) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL29754288 0.84 MAPT (1.00) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL7279992 0.84 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL7279378 0.84 MEN1 (0.84) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20110008289-A1 HYPERGLYCOSYLATED POLYPEPTIDE VARIANTS AND METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2011-01-13 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-20100099851-A1 SYNTHETIC HYPERGLYCOSYLATED, PROTEASE-RESISTANT POLYPEPTIDE VARIANTS, ORAL FORMULATIONS AND METHODS OF USING THE SAME ALIOS BIOPHARMA, INC. (US) 2010-04-22 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed
WO-2006020580-A2 SYNTHETIC HYPERGLYCOSYLATED, PROTEASE-RESISTANT POLYPEPTIDE VARIANTS, ORAL FORMULATIONS AND METHODS OF USING THE SAME ALIOS BIOPHARMA INC. (US) 2006-02-23 WO disclosed
WO-2005110455-A2 COMBINATION THERAPY FOR TREATING HEPATITIS VIRUS INFECTION INTERMUNE, INC. (US) 2005-11-24 WO 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
WO-2004105684-A2 COMBINATION THERAPY FOR PROLIFERATIVE DISORDERS INTERMUNE, INC. (US) 2004-12-09 WO disclosed
CN-1152867-C Quinazoline derivatives as medicaments �����ɷ� 2004-06-09 CN disclosed
US-6476031-B1 Quinazoline derivatives as medicaments SCIOS, INC. 2002-11-05 US disclosed
CN-1333757-A Quinazoline derivatives as medicaments SCIOS INC (US) 2002-01-30 CN 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 (4 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-20100099851-A1 SYNTHETIC HYPERGLYCOSYLATED, PROTEASE-RESISTANT POLYPEPTIDE VARIANTS, ORAL FORMULATIONS AND METHODS OF USING THE SAME IFNAR1, IDE, CTSC CYP1A2 1171/4885CYP3A4 267/4885CYP2D6 523/4885
US-20110008289-A1 HYPERGLYCOSYLATED POLYPEPTIDE VARIANTS AND METHODS OF USE IFNAR1, EPOR, HBB CYP1A2 834/4885CYP3A4 278/4885CYP2D6 247/4885
US-20050171123-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 CYP1A2 722/4885CYP3A4 1830/4885CYP2D6 2107/4885
US-20050220784-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 CYP1A2 722/4885CYP3A4 1830/4885CYP2D6 2107/4885

“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.