SCHEMBL4582430

SCHEMBL4582430

[CH2]c1cccc(-c2cc(F)cnc2N)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.44
FYN P06241 10/20 0.43
MAP4K4 O95819 5/20 0.39
USP7 Q93009 2/20 0.39
VRK1 Q99986 1/20 0.37
DHFR P00374 1/20 0.36

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
SCHEMBL4580917 0.81 MAP4K4 (0.47) CHEK2FYNMAP4K4USP7VRK1
SCHEMBL4582434 0.81 ADORA1 (0.49) CHEK2FYNMAP4K4
SCHEMBL4582777 0.75 MAP4K4 (0.69) FYNMAP4K4DHFR
SCHEMBL4470993 0.73 CHEK2 (0.56) CHEK2FYNMAP4K4USP7VRK1
SCHEMBL4580922 0.71 MAP4K4 (0.54) CHEK2FYNMAP4K4USP7
SCHEMBL29857829 0.71 CHEK2 (0.53) CHEK2FYNMAP4K4USP7VRK1
SCHEMBL26917180 0.71 CHEK2 (0.53) CHEK2FYNMAP4K4USP7VRK1
SCHEMBL15677931 0.69 FYN (0.43) CHEK2FYNUSP7
SCHEMBL625738 0.69 NTRK1 (0.50) CHEK2FYNMAP4K4USP7
SCHEMBL26917158 0.69 CHEK2 (0.54) CHEK2FYNMAP4K4USP7VRK1

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-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB CHEK2 257/4885FYN 1657/4885MAP4K4 354/4885

“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.