SCHEMBL2000133

SCHEMBL2000133

NCc1c(-c2ccccc2C(N)=O)ccc2c(=O)cc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.45
DPP4 P27487 1/20 0.45
NUDT1 P36639 1/20 0.44
PDPK1 O15530 1/20 0.43
CSNK1A1 P48729 1/20 0.43
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
CCR8 P51685 1/20 0.41
KMT2A Q03164 1/20 0.41
IKBKB O14920 1/20 0.40
BRD4 O60885 1/20 0.39
BCAT2 O15382 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1998523 0.77 DPP4 (0.46) BTKDPP4NUDT1PDPK1CSNK1A1
SCHEMBL1997536 0.74 DPP4 (0.46) BTKDPP4NUDT1CSNK1A1TYRO3
SCHEMBL27785368 0.71 PDPK1 (0.73) BTKNUDT1PDPK1CSNK1A1TYRO3
SCHEMBL9795027 0.68 NUDT1 (0.61) BTKNUDT1PDPK1CSNK1A1TYRO3
SCHEMBL29822224 0.68 NUDT1 (0.61) BTKNUDT1PDPK1CSNK1A1TYRO3
SCHEMBL30646218 0.67 BCAT2 (0.63) BTKNUDT1CSNK1A1TYRO3DYRK1B
SCHEMBL210767 0.67 BCAT2 (0.74) NUDT1CSNK1A1TYRO3DYRK1BBCAT2
SCHEMBL30514077 0.67 BCAT2 (0.74) NUDT1CSNK1A1TYRO3DYRK1BBCAT2
SCHEMBL1993980 0.67 DPP4 (0.44) DPP4NUDT1CSNK1A1TYRO3DYRK1B
SCHEMBL5608858 0.66 BCAT2 (0.61) DPP4NUDT1CSNK1A1TYRO3DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 BTK 4007/4885DPP4 2/4885NUDT1 719/4885

“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.