SCHEMBL4140858

SCHEMBL4140858

FC(F)(F)c1cccc(Nc2ncc(Br)c(Nc3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 10/20 0.67
SYK P43405 2/20 0.65
IGF1R P08069 1/20 0.62
AURKA O14965 2/20 0.58
IDH2 P48735 2/20 0.57
KDM4E B2RXH2 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CTSL P07711 1/20 0.55
KDR P35968 1/20 0.54

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
SCHEMBL4131488 0.85 KDM4E (0.59) CTSCSYKIDH2KDM4EKDR
SCHEMBL4131075 0.85 CTSC (0.56) CTSCSYKIDH2
SCHEMBL3601052 0.81 HDAC3 (0.67) CTSCAURKAIDH2KDM4EHDAC3
SCHEMBL30313912 0.81 HDAC3 (0.67) CTSCAURKAIDH2KDM4EHDAC3
SCHEMBL25658127 0.81 CTSC (1.00) CTSCIDH2CTSL
SCHEMBL29816580 0.81 CTSC (1.00) CTSCIDH2CTSL
SCHEMBL656905 0.79 SYK (1.00) SYKIGF1RKDR
SCHEMBL787987 0.78 EGFR (0.62) CTSCIDH2KDR
SCHEMBL655512 0.78 IGF1R (0.75) SYKIGF1RHDAC3HDAC1HDAC2
SCHEMBL30847372 0.78 AURKA (0.72) CTSCSYKAURKAIDH2KDM4E

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-20090170882-A1 Methods and compositions CYTOKINETICS, INCORPORATED 2009-07-02 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-20090170882-A1 Methods and compositions KIF5B, KIF5C, KIF2C CTSC 2513/4885SYK 4028/4885IGF1R 4345/4885

“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.