Sugi Predict

Sugi Predict / Compounds / SCHEMBL413342

SCHEMBL413342

SCHEMBL413342

Clc1ccccc1-c1nc(Nc2ccncc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 1.00
▸ CYP3A4 P08684 7/20 1.00
▸ ALDH1A1 P00352 6/20 1.00
▸ CYP2D6 P10635 6/20 1.00
▸ CYP2C19 P33261 6/20 1.00
▸ LMNA P02545 5/20 1.00
▸ MEN1 O00255 4/20 1.00
▸ KMT2A Q03164 4/20 1.00
▸ CYP2C9 P11712 4/20 1.00
▸ CLK4 Q9HAZ1 3/20 1.00
▸ USP2 O75604 3/20 1.00
▸ HSD17B10 Q99714 5/20 0.72
▸ ALOX15 P16050 2/20 0.72
▸ TGFBR1 P36897 3/20 0.68
▸ MAPK14 Q16539 2/20 0.68
▸ MAPT P10636 5/20 0.67
▸ KDM4E B2RXH2 5/20 0.67
▸ TP53 P04637 4/20 0.67
▸ MAPK1 P28482 4/20 0.67
▸ HPGD P15428 3/20 0.67

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
SCHEMBL415384 0.86 CYP1A2 (0.76) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL411787 0.84 MEN1 (0.74) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL408086 0.84 CYP1A2 (0.72) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL414358 0.84 CYP1A2 (1.00) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL4847453 0.83 ALDH1A1 (0.71) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL4090985 0.82 ABCG2 (0.71) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL31061048 0.81 TGFBR1 (1.00) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL14262837 0.81 KDM4E (0.94) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL412953 0.81 TGFBR1 (1.00) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL1817920 0.81 ALDH1A1 (0.68) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19

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 67 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
CN-1152867-C Quinazoline derivatives as medicaments �����ɷ� 2004-06-09 — — CN 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
CN-1333757-A Quinazoline derivatives as medicaments SCIOS INC (US) 2002-01-30 — — CN 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-6476031-B1 Quinazoline derivatives as medicaments SCIOS, INC. 2002-11-05 — — 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
US-6184226-B1 ANTIINFLAMMATORY AGENTS FOR TREATMENT OF CARDIOVASCULAR SYSTEM DISORDERS/RESPIRATORY SYSTEM DISORDERS, ANTIISCHEMIC AGENTS SCIOS INC. 2001-02-06 — — 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 (3 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 1442/4885ALDH1A1 3545/4885
US-20050171123-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 CYP1A2 722/4885CYP3A4 1830/4885ALDH1A1 3794/4885
US-20030069248-A1 Quinazoline derivatives as medicaments SMAD3, SMAD2, TGFBR1 CYP1A2 967/4885CYP3A4 1442/4885ALDH1A1 3545/4885

“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.