SCHEMBL4586076

SCHEMBL4586076

[NH]CCc1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
DPP4 P27487 2/20 0.40
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
RIPK1 Q13546 2/20 0.37
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7700255 0.85 CA3 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1679838 0.81 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL441642 0.79 TAAR1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16952272 0.77 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1561523 0.77 CA3 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4481161 0.77 RIPK1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17552679 0.77 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL2212433 0.77 KMT2A (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29471352 0.77 CA3 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27830893 0.77 DPP4 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1589960-A4 TREATMENT OF OBESITY AND ASSOCIATED CONDITIONS WITH TGF-BETA INHIBITORS SCIOS INC (US) 2008-09-10 EP disclosed
EP-1575506-A4 METHODS FOR IMPROVEMENT OF LUNG FUNCTION USING TGF-BETA INHIBITORS SCIOS INC (US) 2008-04-23 EP disclosed
US-7345045-B2 Pyrido-pyrimidine compounds as medicaments SCIOS, INC. (US) 2008-03-18 US disclosed
EP-1572208-A4 METHOD FOR COUNTERACTING A PATHOLOGIC CHANGE IN THE BETA-ADRENERGIC PATHWAY SCIOS INC (US) 2007-08-29 EP disclosed
EP-1511738-A4 TREATMENT OF FIBROPROLIFERATIVE DISORDERS USING TGF-BETA INHIBITORS SCIOS INC (US) 2007-05-09 EP disclosed
EP-1708712-A1 TREATMENT OF MALIGNANT GLIOMAS WITH TGF-BETA INHIBITORS Scios, Inc. (US) 2006-10-11 EP disclosed
EP-1107959-B1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC (US) 2006-10-11 EP disclosed
US-20050245508-A1 Treatment of malignant gliomas with TGF-beta inhibitors SCIOS, INC. (US) 2005-11-03 US disclosed
EP-1589960-A1 TREATMENT OF OBESITY AND ASSOCIATED CONDITIONS WITH TGF-BETA INHIBITORS Scios, Inc. (US) 2005-11-02 EP disclosed
US-20050220784-A1 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-10-06 US disclosed
US-20040038856-A1 Treatment of fibroproliferative disorders using TGF-beta inhibitors SCIOS, INC. 2004-02-26 US disclosed
WO-2004010929-A2 METHODS FOR IMPROVEMENT OF LUNG FUNCTION USING TGF-β INHIBITORS SCIOS, INC. (US) 2004-02-05 WO disclosed
WO-2003097615-A1 TREATMENT OF FIBROPROLIFERATIVE DISORDERS USING TGF-β INHIBITORS SCIOS, INC. (US) 2003-11-27 WO disclosed
US-20030069248-A1 Quinazoline derivatives as medicaments CHAKRAVARTY SARVAJIT (US) 2003-04-10 US disclosed
US-6476031-B1 Quinazoline derivatives as medicaments SCIOS, INC. 2002-11-05 US disclosed
US-20020161010-A1 Quinazoline derivatives as medicaments CHAKRAVARTY SARVAJIT (US) 2002-10-31 US 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
EP-1107959-A2 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC. (US) 2001-06-20 EP disclosed
US-6184226-B1 ANTIINFLAMMATORY AGENTS FOR TREATMENT OF CARDIOVASCULAR SYSTEM DISORDERS/RESPIRATORY SYSTEM DISORDERS, ANTIISCHEMIC AGENTS SCIOS INC. 2001-02-06 US disclosed
WO-2000012497-A2 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC. (US) 2000-03-09 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 PSEN1 3631/4885PSEN2 3361/4885APH1B 2584/4885
US-20050245508-A1 Treatment of malignant gliomas with TGF-beta inhibitors TGFBR1, TGFBR2, SMAD3 PSEN1 1538/4885PSEN2 2640/4885APH1B 2375/4885
US-20040038856-A1 Treatment of fibroproliferative disorders using TGF-beta inhibitors TGFBR1, TGFBR2, SMAD3 PSEN1 3703/4885PSEN2 4345/4885APH1B 3079/4885
US-20030069248-A1 Quinazoline derivatives as medicaments SMAD3, SMAD2, TGFBR1 PSEN1 3631/4885PSEN2 3361/4885APH1B 2584/4885
US-20050220784-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 PSEN1 4091/4885PSEN2 2641/4885APH1B 1940/4885

“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.