SCHEMBL3424702

SCHEMBL3424702

COc1cc2c(=O)n(Cc3ccccc3C#N)c(Cl)nc2cn1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.47
CYP3A4 P08684 6/20 0.47
NPBWR1 P48145 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
NOX4 Q9NPH5 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIN1 Q05586 7/20 0.42
GRIN2B Q13224 7/20 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
SCHEMBL3426403 0.86 NOX4 (0.47) DPP4CYP3A4NPBWR1NOX4KMT2A
SCHEMBL3423562 0.85 DPP4 (0.62) DPP4CYP3A4NPBWR1RXFP1NOX4
SCHEMBL3425852 0.84 CYP3A4 (0.63) DPP4CYP3A4NPBWR1RXFP1NOX4
SCHEMBL3423226 0.81 DPP4 (0.64) DPP4CYP3A4NPBWR1RXFP1NOX4
SCHEMBL3425757 0.80 CYP3A4 (0.63) DPP4CYP3A4NOX4KMT2AGRIN1
SCHEMBL3423901 0.79 DPP4 (0.57) DPP4CYP3A4NOX4KMT2A
SCHEMBL3423624 0.78 DPP4 (0.78) DPP4CYP3A4
SCHEMBL3423622 0.78 DPP4 (0.78) DPP4CYP3A4
SCHEMBL3425489 0.78 CYP3A4 (0.61) DPP4CYP3A4NOX4GRIN1GRIN2B
SCHEMBL3428161 0.78 DPP4 (0.61) DPP4CYP3A4NOX4KMT2AGRIN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 US 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-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 DPP4 2/4885CYP3A4 91/4885NPBWR1 2247/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 DPP4 3/4885CYP3A4 226/4885NPBWR1 445/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 DPP4 2/4885CYP3A4 108/4885NPBWR1 699/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 DPP4 2/4885CYP3A4 86/4885NPBWR1 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.