SCHEMBL4582777

SCHEMBL4582777

[CH2]c1cccc(-c2cccnc2N)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.69
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
FYN P06241 1/20 0.38
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
AKT1 P31749 8/20 0.36
AKT2 P31751 4/20 0.36
TGFBR1 P36897 1/20 0.36
DHFR P00374 1/20 0.35
BACE1 P56817 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
ACVR1 Q04771 1/20 0.34
METAP2 P50579 1/20 0.34

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
SCHEMBL18188070 0.80 MAP4K4 (0.71) MAP4K4MKNK1MKNK2NOS3NOS1
SCHEMBL4582566 0.79 MKNK1 (0.59) MAP4K4MKNK1MKNK2NOS3NOS1
SCHEMBL4582784 0.79 MAP4K4 (0.69) MAP4K4MKNK1MKNK2NOS3NOS1
SCHEMBL1148699 0.77 MAP4K4 (0.66) MAP4K4MKNK1MKNK2NOS3NOS1
SCHEMBL27500767 0.76 MAP4K4 (0.65) MAP4K4MKNK1MKNK2AKT1AKT2
SCHEMBL4582430 0.75 CHEK2 (0.44) MAP4K4FYNDHFR
SCHEMBL3140455 0.75 MAP4K4 (0.63) MAP4K4MKNK1MKNK2NOS3NOS2
SCHEMBL8738130 0.75 MAP4K4 (0.63) MAP4K4MKNK1MKNK2NOS3NOS1
SCHEMBL15394275 0.75 MAP4K4 (0.63) MAP4K4MKNK1MKNK2NOS3NOS1
SCHEMBL10062975 0.73 MAP4K4 (0.59) MAP4K4MKNK1MKNK2NOS3NOS1

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 354/4885MKNK1 417/4885MKNK2 539/4885

“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.