SCHEMBL5457239

SCHEMBL5457239

O=[C]OC1Oc2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
KDR P35968 1/20 0.40
STK17B O94768 1/20 0.38
CYP19A1 P11511 8/20 0.38
MAOB P27338 3/20 0.38
ADORA3 P0DMS8 2/20 0.38
AR P10275 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
PARP1 P09874 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
HSD11B1 P28845 1/20 0.33
AKR1C3 P42330 1/20 0.33

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
SCHEMBL4334851 0.78 NT5E (0.45) RETKDRSTK17BCYP19A1MAOB
SCHEMBL6805564 0.73 ALDH1A1 (0.46) KDM4EHSD17B10POLBNPC1
SCHEMBL10708762 0.72 NT5E (0.39) RETKDRSTK17BCYP19A1MAOB
SCHEMBL67633 0.72 POLB (0.46) RETKDRSTK17BCYP19A1MAOB
SCHEMBL7534480 0.71 MEN1 (0.43) RETKDRSTK17BCYP19A1MAOB
SCHEMBL5548145 0.69 RET (0.46) RETKDRSTK17BCYP19A1MAOB
SCHEMBL7539076 0.68 ALDH1A1 (0.49) KDM4EHSD17B10MEN1POLBKMT2A
SCHEMBL1429502 0.67 STK17B (0.46) RETKDRSTK17BCYP19A1MAOB
SCHEMBL69727 0.67 RET (0.53) RETKDRSTK17BCYP19A1MAOB
SCHEMBL69430 0.67 PARP1 (0.48) RETKDRSTK17BCYP19A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD RET 2518/4885KDR 2689/4885STK17B 3415/4885

“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.