SCHEMBL3425852

SCHEMBL3425852

COc1ccc2nc(Cl)n(Cc3ccccc3C#N)c(=O)c2c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.63
DPP4 P27487 8/20 0.63
NPBWR1 P48145 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
TP53 P04637 1/20 0.47
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
NOX4 Q9NPH5 1/20 0.45
POLB P06746 1/20 0.45
BACE1 P56817 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL3423562 0.86 DPP4 (0.62) CYP3A4DPP4NPBWR1RXFP1NOX4
SCHEMBL3425757 0.86 CYP3A4 (0.63) CYP3A4DPP4GRIN1GRIN2BNOX4
SCHEMBL3428161 0.84 DPP4 (0.61) CYP3A4DPP4GRIN1GRIN2BNOX4
SCHEMBL3425489 0.84 CYP3A4 (0.61) CYP3A4DPP4GRIN1GRIN2BNOX4
SCHEMBL3424702 0.84 DPP4 (0.47) CYP3A4DPP4NPBWR1RXFP1GRIN1
SCHEMBL3423901 0.83 DPP4 (0.57) CYP3A4DPP4NOX4KMT2AMEN1
SCHEMBL3423226 0.83 DPP4 (0.64) CYP3A4DPP4NPBWR1RXFP1GRIN1
SCHEMBL3426403 0.80 NOX4 (0.47) CYP3A4DPP4NPBWR1TP53GRIN1
SCHEMBL3432687 0.79 DPP4 (0.63) CYP3A4DPP4GRIN1GRIN2BNOX4
SCHEMBL3428196 0.78 DPP4 (0.62) CYP3A4DPP4NPBWR1RXFP1TP53

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 21 patents — showing the first 20. 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
EP-1608317-A4 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2006-12-27 EP 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
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 CYP3A4 91/4885DPP4 2/4885NPBWR1 2247/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 CYP3A4 226/4885DPP4 3/4885NPBWR1 445/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 CYP3A4 108/4885DPP4 2/4885NPBWR1 699/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 CYP3A4 86/4885DPP4 2/4885NPBWR1 742/4885

“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.