SCHEMBL1991118

SCHEMBL1991118

Fc1ccc2nc(Cl)nc(Cl)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.42
ACHE P22303 5/20 0.42
GRIN1 Q05586 5/20 0.42
GRIN2A Q12879 5/20 0.42
HTT P42858 1/20 0.41
DHODH Q02127 3/20 0.40
CASP3 P42574 1/20 0.39
MPO P05164 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BACE1 P56817 1/20 0.37
PARP1 P09874 1/20 0.37
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL29909019 1.00 BCHE (0.42) BCHEACHEGRIN1GRIN2AHTT
SCHEMBL4353498 0.85 GABBR2 (0.50) HTTDHODHALDH1A1KDM4ELMNA
SCHEMBL1994310 0.84 ACHE (0.42) BCHEACHEGRIN1GRIN2AHTT
SCHEMBL30014038 0.84 ACHE (0.42) BCHEACHEGRIN1GRIN2AHTT
SCHEMBL29663483 0.81 HTT (0.64) BCHEACHEGRIN1GRIN2AHTT
SCHEMBL27823530 0.81 DHODH (0.44) BCHEACHEGRIN1GRIN2AHTT
SCHEMBL8900878 0.81 HTT (0.64) BCHEACHEGRIN1GRIN2AHTT
SCHEMBL14842977 0.81 MPO (0.54) BCHEACHEGRIN1GRIN2AHTT
SCHEMBL405341 0.79 KDM4E (0.44) BCHEACHEGRIN1GRIN2AHTT
SCHEMBL30013869 0.79 KDM4E (0.44) BCHEACHEGRIN1GRIN2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608317-A4 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2006-12-27 EP claimed
EP-1608317-A2 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda San Diego, Inc. (US) 2005-12-28 EP claimed
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 US claimed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO claimed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO claimed
US-20250361236-A9 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2025-11-27 US disclosed
WO-2025096494-A1 UBIQUITIN SPECIFIC PROCESSING PROTEASE 1 (USP1) COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 WO disclosed
WO-2025073583-A1 PARP1 INHIBITOR COMPOUNDS Duke Street Bio Limited (GB) 2025-04-10 WO disclosed
US-12258354-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2025-03-25 US disclosed
US-20250026752-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2025-01-23 US disclosed
US-20240400568-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2024-12-05 US disclosed
WO-2024243025-A1 NAPHTHYL-SUBSTITUTED PYRIDO[4,3-D]PYRIMIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2024-11-28 WO disclosed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO disclosed
EP-0760819-B1 TRICYCLIC DICARBONYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2000-07-19 EP disclosed
US-5688803-A BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-11-18 US disclosed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed
EP-0760819-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed
EP-0491814-B1 TETRACYCLIC IMIDAZOQUINAZOLINE DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS NOVO NORDISK AS (DK) 1995-12-06 EP disclosed
WO-1995032205-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1995-11-30 WO disclosed
EP-0417027-A1 Tetracyclic imidazoquinazoline derivatives, process for their preparation and pharmaceutical compositions containing them NOVO NORDISK A/S (DK) 1991-03-13 EP 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-20050004117-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 BCHE 139/4885ACHE 244/4885GRIN1 4074/4885
US-20240400568-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK BCHE 3019/4885ACHE 4227/4885GRIN1 3148/4885
US-20250026752-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 BCHE 100/4885ACHE 19/4885GRIN1 67/4885
US-12258354-B2 AhR modulators AHR, ARNT, RORB BCHE 2895/4885ACHE 3528/4885GRIN1 1704/4885
US-20250361236-A9 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK BCHE 3019/4885ACHE 4227/4885GRIN1 3148/4885

“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.