SCHEMBL5583883

SCHEMBL5583883

Cn1cnc(Cl)c(CNc2ccccc2C#N)c1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 1/20 0.42
ATAD2 Q6PL18 1/20 0.38
PDE7A Q13946 1/20 0.38
DPP4 P27487 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 1/20 0.35
KAT2B Q92831 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
GAA P10253 3/20 0.34
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
HTR2A P28223 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL8290100 0.80 ALDH1A1 (0.43) KDM4EHPGDTSHRHSD17B10KMT2A
SCHEMBL6427948 0.79 KMT2A (0.49) KDM4EKMT2ADPP4GAAALDH1A1
SCHEMBL5583952 0.77 KDM4E (0.44) KDM4EHPGDTSHRHSD17B10PDE7A
SCHEMBL13139851 0.75 DPP4 (0.50) DPP4
SCHEMBL3065092 0.75 DPP4 (0.50) DPP4
SCHEMBL5583880 0.68 KMT2A (0.38) KDM4EHPGDKMT2ADPP4GAA
SCHEMBL3475619 0.64 KDM4E (1.00) KDM4EHPGDTSHRHSD17B10KMT2A
SCHEMBL15486368 0.63 KDM4E (0.61) KDM4EHPGDTSHRHSD17B10KMT2A
SCHEMBL6206235 0.63 TSHR (0.61) KDM4EHPGDTSHRHSD17B10KMT2A
SCHEMBL8291759 0.62 DPP4 (0.46) KDM4EHPGDKMT2ADPP4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007505121-A 2007-03-08 JP claimed
EP-1699777-A1 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2006-09-13 EP claimed
WO-2005026148-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-03-24 WO claimed
US-20050065145-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US claimed
US-7790734-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
US-7790734-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US 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-20050065145-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 KDM4E 1753/4885HPGD 1891/4885TSHR 1712/4885

“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.