SCHEMBL13126005

SCHEMBL13126005

C=C(/C=C(\S)C(=O)NCC)c1cnn2cc(-c3ccc(OC)cc3)cnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.51
KDR P35968 11/20 0.47
FLT1 P17948 3/20 0.47
FLT4 P35916 3/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
DYRK3 O43781 1/20 0.47
MAP4K4 O95819 1/20 0.47
NTRK1 P04629 1/20 0.47
INSR P06213 1/20 0.47
CDK1 P06493 1/20 0.47
FGFR1 P11362 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47
FLT3 P36888 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
IRAK1 P51617 1/20 0.47
CSNK2A1 P68400 1/20 0.47

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
SCHEMBL13126008 0.93 PDE2A (0.49) PDE2AKDRFLT1FLT4PLK4
SCHEMBL13126007 0.86 KDR (0.46) PDE2AKDRFLT1FLT4PLK4
SCHEMBL13126006 0.85 PDE2A (0.45) PDE2AKDRFLT1FLT4PLK4
SCHEMBL4474846 0.76 KDR (0.65) PDE2AKDRFLT1FLT4PLK4
SCHEMBL4477194 0.75 PDE2A (0.57) PDE2AKDRFLT1FLT4PLK4
SCHEMBL4468603 0.74 KDR (0.62) PDE2AKDRFLT1FLT4PLK4
SCHEMBL5914348 0.70 PDE2A (0.53) PDE2AKDRFLT1FLT4PLK4
SCHEMBL4479049 0.69 KDR (0.59) PDE2AKDRFLT1FLT4PLK4
SCHEMBL2810629 0.65 KDR (1.00) KDRFLT1FLT4PLK4AURKA
SCHEMBL4482059 0.65 KDR (0.70) KDRFLT1FLT4PLK4AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240647-A1 Treatment of Alzheimer's Disease and Related Conditions MERCK & CO., INC. 2010-09-23 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-20100240647-A1 Treatment of Alzheimer's Disease and Related Conditions MAPT, MAP2, TTBK1 PDE2A 2255/4885KDR 3689/4885FLT1 3092/4885

“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.