SCHEMBL415384

SCHEMBL415384

Clc1cccc(Cl)c1-c1nc(Nc2ccncc2)c2ccccc2n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.76
CYP3A4 P08684 9/20 0.76
LMNA P02545 7/20 0.76
CYP2D6 P10635 7/20 0.76
CYP2C19 P33261 7/20 0.76
ALDH1A1 P00352 6/20 0.76
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
USP2 O75604 4/20 0.76
CYP2C9 P11712 4/20 0.76
CLK4 Q9HAZ1 3/20 0.76
TGFBR1 P36897 4/20 0.68
MAPK14 Q16539 2/20 0.68
KDM4E B2RXH2 7/20 0.64
HPGD P15428 6/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
PDE5A O76074 2/20 0.64
POLB P06746 1/20 0.64
HSD17B10 Q99714 5/20 0.61
MAPT P10636 5/20 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
SCHEMBL413342 0.86 CYP1A2 (1.00) CYP1A2CYP3A4LMNACYP2D6CYP2C19
SCHEMBL411365 0.84 TGFBR1 (0.68) CYP1A2CYP3A4LMNACYP2D6CYP2C19
SCHEMBL410146 0.84 TGFBR1 (0.68) CYP1A2CYP3A4LMNACYP2D6CYP2C19
SCHEMBL14262837 0.81 KDM4E (0.94) CYP1A2CYP3A4LMNACYP2D6CYP2C19
SCHEMBL412953 0.81 TGFBR1 (1.00) CYP1A2CYP3A4LMNACYP2D6CYP2C19
SCHEMBL31061048 0.81 TGFBR1 (1.00) CYP1A2CYP3A4LMNACYP2D6CYP2C19
SCHEMBL1064901 0.81 TGFBR1 (0.82) CYP1A2CYP3A4LMNACYP2D6CYP2C19
SCHEMBL3121675 0.80 ALDH1A1 (0.66) CYP1A2CYP3A4LMNACYP2D6CYP2C19
SCHEMBL7434986 0.79 ALDH1A1 (1.00) CYP1A2CYP3A4LMNACYP2D6CYP2C19
SCHEMBL413202 0.78 TGFBR1 (0.86) CYP1A2CYP3A4LMNACYP2D6CYP2C19

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 46 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-6903096-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-06-07 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-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-20020161010-A1 Quinazoline derivatives as medicaments SMAD3, SMAD2, TGFBR1 CYP1A2 967/4885CYP3A4 1442/4885LMNA 2827/4885
US-20030225089-A1 Pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors CHRM3, CHRM2, CHRNB1 CYP1A2 1183/4885CYP3A4 1757/4885LMNA 3362/4885
US-20110008289-A1 HYPERGLYCOSYLATED POLYPEPTIDE VARIANTS AND METHODS OF USE IFNAR1, EPOR, HBB CYP1A2 834/4885CYP3A4 278/4885LMNA 2682/4885
US-20050171123-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 CYP1A2 722/4885CYP3A4 1830/4885LMNA 2788/4885
US-20030220336-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 CYP1A2 2102/4885CYP3A4 3875/4885LMNA 4233/4885

“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.