SCHEMBL3426403

SCHEMBL3426403

N#Cc1ccccc1Cn1c(Cl)nc2cnc(Cl)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.47
DPP4 P27487 11/20 0.47
CYP3A4 P08684 10/20 0.47
GRIN1 Q05586 3/20 0.45
GRIN2B Q13224 3/20 0.45
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.40
NPBWR1 P48145 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B13 Q7Z5P4 1/20 0.40

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
SCHEMBL3424702 0.86 DPP4 (0.47) NOX4DPP4CYP3A4GRIN1GRIN2B
SCHEMBL3425757 0.84 CYP3A4 (0.63) NOX4DPP4CYP3A4GRIN1GRIN2B
SCHEMBL3423901 0.83 DPP4 (0.57) NOX4DPP4CYP3A4KMT2AALDH1A1
SCHEMBL3425489 0.82 CYP3A4 (0.61) NOX4DPP4CYP3A4GRIN1GRIN2B
SCHEMBL3428161 0.82 DPP4 (0.61) NOX4DPP4CYP3A4GRIN1GRIN2B
SCHEMBL3432687 0.82 DPP4 (0.63) NOX4DPP4CYP3A4GRIN1GRIN2B
SCHEMBL3423562 0.81 DPP4 (0.62) NOX4DPP4CYP3A4NPBWR1ALDH1A1
SCHEMBL3425852 0.80 CYP3A4 (0.63) NOX4DPP4CYP3A4GRIN1GRIN2B
SCHEMBL12521139 0.79 DPP4 (0.79) DPP4CYP3A4
SCHEMBL3427475 0.79 DPP4 (0.79) DPP4CYP3A4

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
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
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
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO disclosed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 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 (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 NOX4 994/4885DPP4 2/4885CYP3A4 91/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 NOX4 3884/4885DPP4 3/4885CYP3A4 226/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 NOX4 3589/4885DPP4 2/4885CYP3A4 108/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 NOX4 3384/4885DPP4 2/4885CYP3A4 86/4885

“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.