SCHEMBL4092472

SCHEMBL4092472

COc1cc2nc(-c3ccccc3F)nc(Nc3ccncc3)c2cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.67
CYP1A2 P05177 5/20 0.67
CYP3A4 P08684 5/20 0.67
ALDH1A1 P00352 5/20 0.67
CYP2D6 P10635 4/20 0.67
CYP2C19 P33261 4/20 0.67
HSD17B10 Q99714 3/20 0.67
CLK4 Q9HAZ1 3/20 0.67
ALOX15 P16050 2/20 0.67
MAPK1 P28482 2/20 0.67
USP2 O75604 2/20 0.67
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
MAPT P10636 5/20 0.65
TP53 P04637 3/20 0.65
POLB P06746 1/20 0.65
ABCG2 Q9UNQ0 7/20 0.52
KDM4E B2RXH2 3/20 0.52
ABCB1 P08183 3/20 0.52
HPGD P15428 2/20 0.52

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
SCHEMBL1056576 0.87 LMNA (0.67) LMNACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL414375 0.84 LMNA (0.59) LMNACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL412455 0.83 LMNA (0.58) LMNACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL411787 0.81 MEN1 (0.74) LMNACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL1063104 0.81 MEN1 (0.57) LMNACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL412084 0.81 MEN1 (0.57) LMNACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL4082133 0.78 MEN1 (0.55) LMNACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL409822 0.78 MEN1 (0.52) LMNACYP1A2CYP3A4ALDH1A1CYP2D6
Ammonia Solution, Strong SCHEMBL3488927 0.78 MEN1 (0.55) LMNACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL14262814 0.77 ABCG2 (0.53) LMNACYP1A2CYP3A4ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171123-A1 Quinazoline derivatives as medicaments SCIOS, INC. 2005-08-04 US claimed
US-6903096-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-06-07 US claimed
US-20030069248-A1 Quinazoline derivatives as medicaments CHAKRAVARTY SARVAJIT (US) 2003-04-10 US claimed
US-6476031-B1 Quinazoline derivatives as medicaments SCIOS, INC. 2002-11-05 US claimed
US-20020161010-A1 Quinazoline derivatives as medicaments CHAKRAVARTY SARVAJIT (US) 2002-10-31 US claimed
JP-2002523502-A 2002-07-30 JP claimed
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 claimed
EP-1107959-A2 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC. (US) 2001-06-20 EP claimed
US-6184226-B1 ANTIINFLAMMATORY AGENTS FOR TREATMENT OF CARDIOVASCULAR SYSTEM DISORDERS/RESPIRATORY SYSTEM DISORDERS, ANTIISCHEMIC AGENTS SCIOS INC. 2001-02-06 US claimed
WO-2000012497-B1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC (US) 2000-09-08 WO claimed
WO-2000012497-A2 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC. (US) 2000-03-09 WO claimed
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US disclosed
US-20070123516-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2007-05-31 US disclosed
EP-1784224-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2007-05-16 EP disclosed
US-20040044020-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 US disclosed
WO-2004004725-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-15 WO disclosed
US-20030225089-A1 Pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-04 US disclosed
US-20030220336-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-27 US disclosed
WO-2003084503-A2 P38 KINASE INHIBITORS FOR TREATING MUCUS HYPERSECRETION_ BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-16 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-20020161010-A1 Quinazoline derivatives as medicaments SMAD3, SMAD2, TGFBR1 LMNA 2827/4885CYP1A2 967/4885CYP3A4 1442/4885
US-20030225089-A1 Pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors CHRM3, CHRM2, CHRNB1 LMNA 3362/4885CYP1A2 1183/4885CYP3A4 1757/4885
US-20040044020-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors CHRM3, CHRNB1, CHRM2 LMNA 3416/4885CYP1A2 1332/4885CYP3A4 1851/4885
US-20050171123-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 LMNA 2788/4885CYP1A2 722/4885CYP3A4 1830/4885
US-20030069248-A1 Quinazoline derivatives as medicaments SMAD3, SMAD2, TGFBR1 LMNA 2827/4885CYP1A2 967/4885CYP3A4 1442/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 LMNA 3309/4885CYP1A2 766/4885CYP3A4 1343/4885
US-20070123516-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 LMNA 4233/4885CYP1A2 2102/4885CYP3A4 3875/4885
US-20030220336-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 LMNA 4233/4885CYP1A2 2102/4885CYP3A4 3875/4885

“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.