SCHEMBL3425489

SCHEMBL3425489

N#Cc1ccccc1Cn1c(Cl)nc2ccc(F)cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.61
DPP4 P27487 9/20 0.61
NOX4 Q9NPH5 1/20 0.47
MAPK14 Q16539 1/20 0.44
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43

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
SCHEMBL6016939 0.89 CYP3A4 (0.63) CYP3A4DPP4NOX4MAPK14GRIN1
SCHEMBL3425757 0.89 CYP3A4 (0.63) CYP3A4DPP4NOX4GRIN1GRIN2B
SCHEMBL3428161 0.87 DPP4 (0.61) CYP3A4DPP4NOX4GRIN1GRIN2B
SCHEMBL3423901 0.86 DPP4 (0.57) CYP3A4DPP4NOX4
SCHEMBL3425852 0.84 CYP3A4 (0.63) CYP3A4DPP4NOX4GRIN1GRIN2B
SCHEMBL3426403 0.82 NOX4 (0.47) CYP3A4DPP4NOX4GRIN1GRIN2B
SCHEMBL3432687 0.82 DPP4 (0.63) CYP3A4DPP4NOX4GRIN1GRIN2B
SCHEMBL3423226 0.81 DPP4 (0.64) CYP3A4DPP4NOX4MAPK14GRIN1
SCHEMBL3426522 0.81 CHRM5 (0.46) CYP3A4DPP4
SCHEMBL3423562 0.81 DPP4 (0.62) CYP3A4DPP4NOX4

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
CN-1894234-A Dipeptidyl peptidase inhibitors SYRRX INC (JP) 2007-01-10 CN 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
EP-1608317-B1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2012-09-26 EP disclosed
EP-1608317-B1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2012-09-26 EP disclosed
US-7687625-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-30 US disclosed
US-7687625-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-30 US disclosed
US-7687625-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-30 US disclosed
US-7550590-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
US-7550590-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
US-7550590-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
CN-1894234-A Dipeptidyl peptidase inhibitors SYRRX INC (JP) 2007-01-10 CN disclosed
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 US disclosed
US-20040259870-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-23 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
US-20040242566-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 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 (4 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 CYP3A4 91/4885DPP4 2/4885NOX4 994/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 CYP3A4 226/4885DPP4 3/4885NOX4 3884/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 CYP3A4 108/4885DPP4 2/4885NOX4 3589/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 CYP3A4 86/4885DPP4 2/4885NOX4 3384/4885

“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.