SCHEMBL3426522

SCHEMBL3426522

O=c1c2cc(F)ccc2nc(Cl)n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 1/20 0.42
DPP4 P27487 1/20 0.42
CASR P41180 2/20 0.41
NPBWR1 P48145 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
TDO2 P48775 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
BLM P54132 1/20 0.39
RXRA P19793 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
P2RX7 Q99572 1/20 0.39
PLK1 P53350 1/20 0.39
HSD17B13 Q7Z5P4 1/20 0.39

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
SCHEMBL3425489 0.81 CYP3A4 (0.61) CYP3A4DPP4
SCHEMBL3422934 0.76 ALDH1A1 (0.46) TDP1CASRALDH1A1MAPK1KDM4E
SCHEMBL3424601 0.75 DPP4 (0.76) CYP3A4DPP4
SCHEMBL13818320 0.75 DPP4 (0.76) CYP3A4DPP4
SCHEMBL3424597 0.75 DPP4 (0.76) CYP3A4DPP4
SCHEMBL7047506 0.75 DPP4 (0.61) CYP3A4DPP4
SCHEMBL23045340 0.70 TDO2 (0.54) TDO2IDO2
SCHEMBL29623384 0.70 TDO2 (0.54) TDO2IDO2
SCHEMBL8306225 0.70 CYP3A4 (0.45) CYP3A4DPP4ALDH1A1KDM4EATM
SCHEMBL3425757 0.69 CYP3A4 (0.63) CYP3A4DPP4CASRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1894234-A Dipeptidyl peptidase inhibitors SYRRX INC (JP) 2007-01-10 CN claimed
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 US claimed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO claimed
US-7687625-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-30 US disclosed
US-7687625-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-30 US disclosed
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-7550590-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
US-7550590-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
CN-1894234-A Dipeptidyl peptidase inhibitors SYRRX INC (JP) 2007-01-10 CN 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-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
US-20040242566-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO disclosed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 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 (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 CHRM5 1524/4885TDP1 3135/4885CYP3A4 91/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 CHRM5 2675/4885TDP1 1573/4885CYP3A4 226/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 CHRM5 1616/4885TDP1 2673/4885CYP3A4 108/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 CHRM5 1492/4885TDP1 2510/4885CYP3A4 86/4885

“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.