SCHEMBL4580917

SCHEMBL4580917

[CH2]c1ccc(-c2cc(F)cnc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.47
USP7 Q93009 3/20 0.46
CHEK2 O96017 3/20 0.43
CYP1A2 P05177 1/20 0.41
KCNH2 Q12809 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
TNIK Q9UKE5 1/20 0.41
FYN P06241 4/20 0.41
VRK1 Q99986 2/20 0.40
MKNK1 Q9BUB5 1/20 0.38

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
SCHEMBL4580922 0.82 MAP4K4 (0.54) MAP4K4USP7CHEK2FYN
SCHEMBL4582430 0.81 CHEK2 (0.44) MAP4K4USP7CHEK2FYNVRK1
SCHEMBL625738 0.76 NTRK1 (0.50) MAP4K4USP7CHEK2FYNMKNK1
SCHEMBL29973001 0.74 MAP4K4 (0.56) MAP4K4USP7CHEK2CYP1A2KCNH2
SCHEMBL17532997 0.73 NTRK1 (0.51) MAP4K4USP7CHEK2FYN
SCHEMBL28032602 0.71 CYP2A6 (0.57) MAP4K4USP7CHEK2FYN
SCHEMBL4582434 0.71 ADORA1 (0.49) MAP4K4CHEK2FYN
SCHEMBL623436 0.70 BTK (0.50) MAP4K4
SCHEMBL29476657 0.70 BTK (0.50) MAP4K4
Hydrochloric Acid SCHEMBL4359853 0.70 CYP2A6 (0.55) MAP4K4USP7CHEK2FYN

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 MAP4K4 354/4885USP7 2058/4885CHEK2 257/4885

“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.