SCHEMBL1998523

SCHEMBL1998523

NCc1c(-c2ccccc2C(N)=O)ccc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
CSNK1A1 P48729 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
BCAT2 O15382 1/20 0.40
CHEK1 O14757 2/20 0.38
WEE1 P30291 1/20 0.38
NUDT1 P36639 1/20 0.38
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
BTK Q06187 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PARP1 P09874 3/20 0.35

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
SCHEMBL2000133 0.77 BTK (0.45) DPP4CSNK1A1TYRO3DYRK1BBCAT2
SCHEMBL1997536 0.74 DPP4 (0.46) DPP4CSNK1A1TYRO3DYRK1BBCAT2
SCHEMBL210767 0.69 BCAT2 (0.74) CSNK1A1TYRO3DYRK1BBCAT2CHEK1
SCHEMBL30514077 0.69 BCAT2 (0.74) CSNK1A1TYRO3DYRK1BBCAT2CHEK1
SCHEMBL1993980 0.68 DPP4 (0.44) DPP4CSNK1A1TYRO3DYRK1BBCAT2
SCHEMBL31012518 0.67 BCAT2 (0.71) CSNK1A1TYRO3DYRK1BBCAT2CHEK1
SCHEMBL1110181 0.67 BCAT2 (0.71) CSNK1A1TYRO3DYRK1BBCAT2CHEK1
Hydrochloric Acid SCHEMBL16463881 0.67 BCAT2 (0.71) CSNK1A1TYRO3DYRK1BBCAT2CHEK1
SCHEMBL2242560 0.67 BCAT2 (0.55) DPP4CSNK1A1TYRO3DYRK1BBCAT2
SCHEMBL3149112 0.66 DPP4 (0.45) DPP4CHEK1WEE1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US claimed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US claimed
WO-2007112347-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-04 WO claimed
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US disclosed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US disclosed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US disclosed
WO-2007112347-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-04 WO disclosed
WO-2007112347-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-04 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 (1 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-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP3, DPP4, DPP7 DPP4 2/4885CSNK1A1 1283/4885TYRO3 3188/4885

“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.