SCHEMBL3391369

SCHEMBL3391369

N#Cc1ccccc1Cn1c(Cl)nc(-c2ccccc2)cc1=O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.58
GRIN1 Q05586 5/20 0.45
GRIN2B Q13224 5/20 0.45
NOX4 Q9NPH5 1/20 0.43
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 1/20 0.40
CREBBP Q92793 1/20 0.40
ADORA2A P29274 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
SCHEMBL3423901 0.75 DPP4 (0.57) DPP4NOX4CYP3A4KMT2A
SCHEMBL3390969 0.74 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3390965 0.74 DPP4 (1.00) DPP4CYP3A4
SCHEMBL8217921 0.74 DPP4 (0.54) DPP4GRIN1GRIN2BNOX4KMT2A
SCHEMBL3425757 0.74 CYP3A4 (0.63) DPP4GRIN1GRIN2BNOX4CYP3A4
SCHEMBL14830541 0.73 GRIN1 (0.55) DPP4GRIN1GRIN2BNOX4KMT2A
SCHEMBL3389261 0.72 DPP4 (0.57) DPP4GRIN1GRIN2BNOX4CYP3A4
SCHEMBL6528356 0.72 DPP4 (0.44) DPP4GRIN1GRIN2BNOX4KMT2A
SCHEMBL3425489 0.72 CYP3A4 (0.61) DPP4GRIN1GRIN2BNOX4CYP3A4
SCHEMBL3428161 0.72 DPP4 (0.61) DPP4GRIN1GRIN2BNOX4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911754-A1 Dipeptidyl peptidase inhibitors Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP claimed
CN-1867560-A 4-pyrimidone derivatives and their use as peptidylpeptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2006-11-22 CN claimed
US-20050065148-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US claimed
WO-2005016911-A1 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 WO claimed
EP-1506967-A1 Dipeptidyl peptidase inhibitors Syrrx, Inc. (US) 2005-02-16 EP claimed
EP-1911754-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2013-10-09 EP disclosed
EP-1911754-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2013-10-09 EP disclosed
US-7790736-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
US-7790736-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
US-7790736-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
US-7723344-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-05-25 US disclosed
US-7723344-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-05-25 US disclosed
US-20050070535-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 US disclosed
US-20050070531-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 US disclosed
US-20050070530-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 US disclosed
US-20050070706-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 US disclosed
US-20050065148-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US disclosed
WO-2005016911-A1 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 WO disclosed
WO-2005016911-A1 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 WO disclosed
EP-1506967-A1 Dipeptidyl peptidase inhibitors Syrrx, Inc. (US) 2005-02-16 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-20050070535-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885GRIN1 2650/4885GRIN2B 2065/4885
US-20050070531-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885GRIN1 2650/4885GRIN2B 2065/4885
US-20050065148-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885GRIN1 2650/4885GRIN2B 2065/4885
US-20050070706-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885GRIN1 2650/4885GRIN2B 2065/4885
US-20050070530-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885GRIN1 2650/4885GRIN2B 2065/4885

“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.