SCHEMBL13465740

SCHEMBL13465740

N#Cc1cccc(-n2ccc(=O)c(Cc3cccc(NC(=O)OCCOCC(F)(F)F)c3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.36
MET P08581 6/20 0.36
PARP1 P09874 1/20 0.35
AR P10275 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CHRM4 P08173 1/20 0.34
P2RY12 Q9H244 1/20 0.33
MGLL Q99685 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
SCHEMBL13465739 0.89 KDM4E (0.38) METPARP1LMNAKDM4EMAPT
SCHEMBL13275332 0.88 KDM4E (0.39) METPARP1LMNAKDM4EMAPT
SCHEMBL13465659 0.87 HPGD (0.41) METPARP1LMNAKDM4EMAPT
SCHEMBL2221173 0.86 MET (0.40) METPARP1
SCHEMBL13449331 0.85 PARP1 (0.49) METPARP1LMNAKDM4EMAPT
SCHEMBL13275070 0.85 PARP1 (0.39) METPARP1KDM4EMAPT
SCHEMBL255591 0.83 RORC (0.40) PARP1LMNAKDM4EMAPT
SCHEMBL2268211 0.83 CHRM4 (0.43) KLKB1METCHRM4
SCHEMBL13274789 0.82 MET (0.45) METLMNAMAPTCHRM4
SCHEMBL13275144 0.82 ALDH1A1 (0.38) METPARP1LMNAKDM4EMAPT

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-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 KLKB1 2827/4885MET 2/4885PARP1 2307/4885

“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.