SCHEMBL1993980

SCHEMBL1993980

NCc1c(-c2ccccc2C(N)=O)ccc2c1C(=O)NNC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
AURKA O14965 1/20 0.43
CHEK1 O14757 2/20 0.40
KDM4E B2RXH2 2/20 0.38
BCAT2 O15382 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
WEE1 P30291 1/20 0.34
NUDT1 P36639 1/20 0.33
DPP8 Q6V1X1 1/20 0.32
PARP1 P09874 6/20 0.32
PDK2 Q15119 1/20 0.32
GRK6 P43250 1/20 0.32
PARP2 Q9UGN5 3/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL28000551 0.70 AURKA (0.75) AURKACHEK1BCAT2KEAP1NFE2L2
SCHEMBL1998523 0.68 DPP4 (0.46) DPP4CHEK1KDM4EBCAT2KEAP1
SCHEMBL1997536 0.68 DPP4 (0.46) DPP4CHEK1KDM4EBCAT2KEAP1
SCHEMBL2000133 0.67 BTK (0.45) DPP4KDM4EBCAT2KEAP1NFE2L2
SCHEMBL30514077 0.66 BCAT2 (0.74) CHEK1KDM4EBCAT2KEAP1NFE2L2
SCHEMBL210767 0.66 BCAT2 (0.74) CHEK1KDM4EBCAT2KEAP1NFE2L2
SCHEMBL31012518 0.65 BCAT2 (0.71) CHEK1KDM4EBCAT2KEAP1NFE2L2
SCHEMBL1110181 0.65 BCAT2 (0.71) CHEK1KDM4EBCAT2KEAP1NFE2L2
Hydrochloric Acid SCHEMBL16463881 0.65 BCAT2 (0.71) CHEK1KDM4EBCAT2KEAP1NFE2L2
SCHEMBL2242560 0.64 BCAT2 (0.55) DPP4KDM4EBCAT2KEAP1NFE2L2

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 10 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
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 2/4885AURKA 3616/4885CHEK1 4024/4885

“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.