Sugi Predict

Sugi Predict / Compounds / SCHEMBL408416

SCHEMBL408416

SCHEMBL408416

Cc1ccc(C(S)Nc2ccc3nc(-c4ccccc4F)nc(Nc4ccncc4)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ CYP1A2 P05177 4/20 0.49
▸ CYP3A4 P08684 4/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ CLK4 Q9HAZ1 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ CYP2D6 P10635 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ USP2 O75604 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ MAPT P10636 7/20 0.46
▸ TP53 P04637 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ HPGD P15428 2/20 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
SCHEMBL4082133 0.79 MEN1 (0.55) LMNAALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL1058063 0.79 MEN1 (0.52) LMNAALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL27468710 0.78 LMNA (0.48) LMNAALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL1063104 0.78 MEN1 (0.57) LMNAALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL411787 0.76 MEN1 (0.74) LMNAALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL14262819 0.74 MEN1 (0.53) LMNAALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL4092472 0.73 LMNA (0.67) LMNAALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL408415 0.73 MAPT (0.48) LMNAALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL409822 0.73 MEN1 (0.52) LMNAALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL415388 0.73 ABCG2 (0.64) ABCG2

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 18 patents. 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-20030069248-A1 Quinazoline derivatives as medicaments CHAKRAVARTY SARVAJIT (US) 2003-04-10 — — 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
WO-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 — — WO 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
US-20030225089-A1 Pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-04 — — 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 (6 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 2827/4885ALDH1A1 3545/4885CYP1A2 967/4885
US-20030225089-A1 Pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors CHRM3, CHRM2, CHRNB1 LMNA 3362/4885ALDH1A1 3663/4885CYP1A2 1183/4885
US-20050171123-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 LMNA 2788/4885ALDH1A1 3794/4885CYP1A2 722/4885
US-20030069248-A1 Quinazoline derivatives as medicaments SMAD3, SMAD2, TGFBR1 LMNA 2827/4885ALDH1A1 3545/4885CYP1A2 967/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 LMNA 3309/4885ALDH1A1 3462/4885CYP1A2 766/4885
US-20070123516-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 LMNA 4233/4885ALDH1A1 2978/4885CYP1A2 2102/4885

“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.