SCHEMBL12765014

SCHEMBL12765014

COC(=O)c1cccc2c3c(c(=O)[nH]c12)CCCCN3

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.45
MAPT P10636 3/20 0.42
GFER P55789 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 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
SCHEMBL12764968 0.84 GFER (0.49) PARP1MAPTGFERKDM4EGAA
SCHEMBL12764963 0.83 GFER (0.47) MAPTGFERKDM4EGAAHTT
SCHEMBL12765010 0.76 KDM4E (0.51) PARP1KDM4EHSD17B10
SCHEMBL6624747 0.76 GFER (0.70) PARP1MAPTGFERKDM4EGAA
SCHEMBL6683973 0.75 GFER (0.68) PARP1MAPTGFERKDM4EGAA
SCHEMBL12764962 0.74 PIM1 (0.44) MAPTGFERKDM4EGAAHTT
SCHEMBL12764966 0.74 PIM1 (0.44) MAPTGFERKDM4EGAAHTT
SCHEMBL12764967 0.73 PIM1 (0.44) MAPTGFERKDM4EGAAHTT
SCHEMBL12764964 0.73 PIM1 (0.44) MAPTGFERKDM4EGAAHTT
SCHEMBL12764973 0.73 PIM1 (0.44) PARP1MAPTGFERKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071136-A1 NOVEL TRICYCLIC PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC (US) 2011-03-24 US disclosed
US-20110071136-A1 NOVEL TRICYCLIC PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC (US) 2011-03-24 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-20110071136-A1 NOVEL TRICYCLIC PROTEIN KINASE MODULATORS PACSIN2, CSNK2A3, CKS2 PARP1 958/4885MAPT 2074/4885GFER 4846/4885

“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.