SCHEMBL410146

SCHEMBL410146

Fc1cccc(F)c1-c1nc(Nc2ccncc2)c2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.68
MAPK14 Q16539 2/20 0.68
ALDH1A1 P00352 7/20 0.64
HPGD P15428 7/20 0.64
KDM4E B2RXH2 6/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
POLB P06746 2/20 0.64
PDE5A O76074 1/20 0.64
LMNA P02545 10/20 0.62
GSK3A P49840 1/20 0.62
GSK3B P49841 1/20 0.62
CYP1A2 P05177 8/20 0.61
CYP3A4 P08684 8/20 0.61
CYP2D6 P10635 7/20 0.61
CYP2C19 P33261 7/20 0.61
MAPT P10636 6/20 0.61
HSD17B10 Q99714 5/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALOX15 P16050 3/20 0.61

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
SCHEMBL411787 0.86 MEN1 (0.74) TGFBR1MAPK14ALDH1A1HPGDKDM4E
SCHEMBL411365 0.84 TGFBR1 (0.68) TGFBR1MAPK14ALDH1A1HPGDKDM4E
SCHEMBL415384 0.84 CYP1A2 (0.76) TGFBR1MAPK14ALDH1A1HPGDKDM4E
SCHEMBL413202 0.83 TGFBR1 (0.86) TGFBR1MAPK14ALDH1A1HPGDKDM4E
SCHEMBL1064930 0.82 TGFBR1 (0.78) TGFBR1MAPK14ALDH1A1HPGDKDM4E
SCHEMBL14262837 0.81 KDM4E (0.94) TGFBR1MAPK14ALDH1A1HPGDKDM4E
SCHEMBL31061048 0.81 TGFBR1 (1.00) TGFBR1MAPK14ALDH1A1HPGDKDM4E
SCHEMBL412953 0.81 TGFBR1 (1.00) TGFBR1MAPK14ALDH1A1HPGDKDM4E
SCHEMBL22201578 0.81 HPGD (0.86) TGFBR1MAPK14ALDH1A1HPGDKDM4E
SCHEMBL1817920 0.79 ALDH1A1 (0.68) TGFBR1MAPK14ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107959-B1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC (US) 2006-10-11 EP claimed
US-20050171123-A1 Quinazoline derivatives as medicaments SCIOS, INC. 2005-08-04 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
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
US-20140120621-A1 TGF-BETA RECEPTOR INHIBITORS TO ENHANCE DIRECT REPROGRAMMING THE GENERAL HOSPITAL CORPORATION (US) 2014-05-01 US disclosed
US-8603818-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2013-12-10 US disclosed
US-8298825-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2012-10-30 US disclosed
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed
US-20110008289-A1 HYPERGLYCOSYLATED POLYPEPTIDE VARIANTS AND METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2011-01-13 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-2003084539-A2 NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND P38 KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-16 WO 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 (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-20030225089-A1 Pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors CHRM3, CHRM2, CHRNB1 TGFBR1 939/4885MAPK14 79/4885ALDH1A1 3663/4885
US-20110008289-A1 HYPERGLYCOSYLATED POLYPEPTIDE VARIANTS AND METHODS OF USE IFNAR1, EPOR, HBB TGFBR1 795/4885MAPK14 2215/4885ALDH1A1 2144/4885
US-20050171123-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 TGFBR1 4/4885MAPK14 40/4885ALDH1A1 3794/4885
US-20030069248-A1 Quinazoline derivatives as medicaments SMAD3, SMAD2, TGFBR1 TGFBR1 3/4885MAPK14 24/4885ALDH1A1 3545/4885
US-20030220336-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 TGFBR1 810/4885MAPK14 44/4885ALDH1A1 2978/4885

“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.