SCHEMBL889790

SCHEMBL889790

O=C(CO)c1cc2c3c(ccc2[nH]1)NCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK1 P28482 1/20 0.41
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
PIM3 Q86V86 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
AURKB Q96GD4 1/20 0.41
PBK Q96KB5 1/20 0.41

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
SCHEMBL22062297 0.88 PLK4 (0.46) PLK4DAPK3DYRK3JAK2PRKD3
SCHEMBL124755 0.84 KDM4E (0.48) PLK4DAPK3DYRK3JAK2PRKD3
SCHEMBL3420814 0.83 HTR1A (0.45) PLK4DAPK3DYRK3JAK2PRKD3
SCHEMBL22048826 0.83 MAPT (0.46) PLK4DAPK3DYRK3JAK2PRKD3
SCHEMBL533320 0.80 KDM4E (0.46) PLK4DAPK3DYRK3JAK2PRKD3
SCHEMBL8205463 0.79 MAPK1 (0.60) PLK4DAPK3DYRK3JAK2PRKD3
SCHEMBL532721 0.71 NPC1 (0.38) PLK4DAPK3DYRK3JAK2PRKD3
SCHEMBL5384431 0.71 NPC1 (0.38) PLK4DAPK3DYRK3JAK2PRKD3
SCHEMBL13497870 0.71 ALDH1A1 (0.48) PLK4DAPK3DYRK3JAK2PRKD3
SCHEMBL22048825 0.70 RAB9A (0.38) PLK4DAPK3DYRK3JAK2PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8465921-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2013-06-18 US disclosed
US-20110275070-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH PHARMACEUTICALS, INC. 2011-11-10 US disclosed
US-7794945-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2010-09-14 US disclosed
US-7556923-B1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-07-07 US disclosed
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2009-02-19 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-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS DDB1, LIG3, MSH2 PLK4 4487/4885DAPK3 238/4885DYRK3 1961/4885

“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.