SCHEMBL4580922

SCHEMBL4580922

Cc1ccc(-c2cc(F)cnc2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.54
LRRK2 Q5S007 5/20 0.51
FYN P06241 4/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
PPARG P37231 1/20 0.47
MCL1 Q07820 1/20 0.47
PTK2B Q14289 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
USP7 Q93009 2/20 0.46
CYP2A6 P11509 1/20 0.45
CHEK2 O96017 1/20 0.43
ABL1 P00519 1/20 0.43
PDGFRB P09619 1/20 0.42

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
SCHEMBL12518227 0.83 CYP2A6 (0.62) MAP4K4LRRK2FYNMEN1NPC1
SCHEMBL4580917 0.82 MAP4K4 (0.47) MAP4K4FYNUSP7CHEK2
SCHEMBL28032602 0.82 CYP2A6 (0.57) MAP4K4LRRK2FYNKDM4EHPGD
SCHEMBL4582434 0.81 ADORA1 (0.49) MAP4K4LRRK2FYNMEN1NPC1
Hydrochloric Acid SCHEMBL4359853 0.81 CYP2A6 (0.55) MAP4K4LRRK2FYNKDM4EHPGD
SCHEMBL16456342 0.79 MAP4K4 (0.58) MAP4K4LRRK2FYNUSP7CHEK2
SCHEMBL13968119 0.79 MAP4K4 (0.54) MAP4K4LRRK2FYNNPSR1MEN1
SCHEMBL29857960 0.79 MAP4K4 (0.54) MAP4K4LRRK2FYNNPSR1MEN1
SCHEMBL18356522 0.79 MAP4K4 (0.54) MAP4K4LRRK2FYNMEN1NPC1
SCHEMBL625738 0.76 NTRK1 (0.50) MAP4K4FYNUSP7CHEK2KDR

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 354/4885LRRK2 1093/4885FYN 1657/4885

“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.