SCHEMBL4628752

SCHEMBL4628752

O=[N+]([O-])c1cccc2nc(-c3ccccc3F)nc(Nc3ccncc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 5/20 0.46
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
MAPT P10636 3/20 0.46
CYP2C9 P11712 2/20 0.46
USP2 O75604 2/20 0.46
ALOX15 P16050 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ABCG2 Q9UNQ0 9/20 0.45

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
SCHEMBL415388 0.79 ABCG2 (0.64) ABCG2
SCHEMBL411787 0.78 MEN1 (0.74) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL1063104 0.70 MEN1 (0.57) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL412084 0.70 MEN1 (0.57) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL28755333 0.69 MEN1 (0.58) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL12426149 0.69 TDP1 (0.46) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL2203035 0.69 LMNA (0.45) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL14344357 0.69 TGFBR1 (0.72) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL4092472 0.68 LMNA (0.67) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL410146 0.68 TGFBR1 (0.68) MEN1KMT2AALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575506-A4 METHODS FOR IMPROVEMENT OF LUNG FUNCTION USING TGF-BETA INHIBITORS SCIOS INC (US) 2008-04-23 EP disclosed
US-7345045-B2 Pyrido-pyrimidine compounds as medicaments SCIOS, INC. (US) 2008-03-18 US disclosed
EP-1572208-A4 METHOD FOR COUNTERACTING A PATHOLOGIC CHANGE IN THE BETA-ADRENERGIC PATHWAY SCIOS INC (US) 2007-08-29 EP disclosed
EP-1511738-A4 TREATMENT OF FIBROPROLIFERATIVE DISORDERS USING TGF-BETA INHIBITORS SCIOS INC (US) 2007-05-09 EP 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
EP-1575506-A2 METHODS FOR IMPROVEMENT OF LUNG FUNCTION USING TGF-BETA INHIBITORS Scios, Inc. (US) 2005-09-21 EP disclosed
EP-1572208-A2 METHOD FOR COUNTERACTING A PATHOLOGIC CHANGE IN THE BETA-ADRENERGIC PATHWAY Scios, Inc. (US) 2005-09-14 EP 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
WO-2004010929-A2 METHODS FOR IMPROVEMENT OF LUNG FUNCTION USING TGF-β INHIBITORS SCIOS, INC. (US) 2004-02-05 WO disclosed
WO-2003097615-A1 TREATMENT OF FIBROPROLIFERATIVE DISORDERS USING TGF-β INHIBITORS SCIOS, INC. (US) 2003-11-27 WO disclosed
US-20030069248-A1 Quinazoline derivatives as medicaments CHAKRAVARTY SARVAJIT (US) 2003-04-10 US disclosed
US-6476031-B1 Quinazoline derivatives as medicaments SCIOS, INC. 2002-11-05 US disclosed
US-20020161010-A1 Quinazoline derivatives as medicaments CHAKRAVARTY SARVAJIT (US) 2002-10-31 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
EP-1107959-A2 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC. (US) 2001-06-20 EP disclosed
US-6184226-B1 ANTIINFLAMMATORY AGENTS FOR TREATMENT OF CARDIOVASCULAR SYSTEM DISORDERS/RESPIRATORY SYSTEM DISORDERS, ANTIISCHEMIC AGENTS SCIOS INC. 2001-02-06 US disclosed
WO-2000012497-A2 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC. (US) 2000-03-09 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 (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-20020161010-A1 Quinazoline derivatives as medicaments SMAD3, SMAD2, TGFBR1 MEN1 1621/4885KMT2A 2523/4885ALDH1A1 3545/4885
US-20050171123-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 MEN1 1936/4885KMT2A 1871/4885ALDH1A1 3794/4885
US-20030069248-A1 Quinazoline derivatives as medicaments SMAD3, SMAD2, TGFBR1 MEN1 1621/4885KMT2A 2523/4885ALDH1A1 3545/4885
US-20050220784-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 MEN1 1936/4885KMT2A 1871/4885ALDH1A1 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.