SCHEMBL3427474

SCHEMBL3427474

Cn1nc2[nH]c(=O)[nH]c(=O)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.43
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
BLM P54132 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
ADORA2A P29274 2/20 0.39
CYP1A2 P05177 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PABPC1 P11940 1/20 0.39
ADORA2B P29275 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 1/20 0.39
PMP22 Q01453 1/20 0.39
MAPT P10636 4/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL31214551 0.66 MAPT (0.62) GDAKDM4EALDH1A1BLMTDP1
SCHEMBL17526407 0.65 ADORA2A (0.50) KDM4EALDH1A1TDP1ADORA2AHSD17B10
SCHEMBL31537457 0.64 GDA (0.41) GDAKDM4EALDH1A1BLMTDP1
SCHEMBL2077106 0.64 GDA (0.44) GDAKDM4EALDH1A1BLMTDP1
SCHEMBL6690332 0.64 TYMP (0.39) GDAKDM4EALDH1A1BLMTDP1
SCHEMBL1460524 0.64 GDA (0.48) GDAKDM4EALDH1A1BLMTDP1
SCHEMBL8720542 0.64 KDM4E (0.53) GDAKDM4EALDH1A1BLMTDP1
SCHEMBL3425801 0.63 ADORA3 (0.36) KDM4EALDH1A1ADORA2ARAB9AMAPT
SCHEMBL14196733 0.61 GDA (0.34) GDAKDM4EALDH1A1BLMTDP1
SCHEMBL3424867 0.61 GDA (0.50) GDAKDM4EALDH1A1BLMTDP1

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
US-7687625-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-30 US disclosed
US-7550590-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 US disclosed
US-20040259870-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-23 US disclosed
US-20040242566-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 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 (4 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-20050004117-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 GDA 3219/4885KDM4E 2328/4885ALDH1A1 816/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 GDA 3716/4885KDM4E 2254/4885ALDH1A1 1094/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 GDA 2985/4885KDM4E 2122/4885ALDH1A1 1061/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 GDA 2877/4885KDM4E 2027/4885ALDH1A1 917/4885

“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.