SCHEMBL4582566

SCHEMBL4582566

[CH2]c1ccc(-c2cccnc2N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.59
MKNK2 Q9HBH9 3/20 0.59
MAP4K4 O95819 2/20 0.55
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
NAPRT Q6XQN6 1/20 0.37
AKT1 P31749 2/20 0.36
TGFBR1 P36897 1/20 0.35
AKT2 P31751 1/20 0.35
USP7 Q93009 3/20 0.34
AURKA O14965 1/20 0.34
KDR P35968 1/20 0.34
AURKB Q96GD4 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL623411 0.82 MAP4K4 (0.61) MKNK1MKNK2MAP4K4NOS3NOS1
SCHEMBL1148699 0.81 MAP4K4 (0.66) MKNK1MKNK2MAP4K4NOS3NOS1
SCHEMBL2253189 0.80 MKNK1 (0.59) MKNK1MKNK2MAP4K4NOS3NOS1
SCHEMBL30128566 0.80 MKNK1 (0.59) MKNK1MKNK2MAP4K4NOS3NOS1
SCHEMBL624668 0.80 MKNK1 (0.64) MKNK1MKNK2MAP4K4NOS3NOS1
SCHEMBL26071485 0.80 MKNK1 (0.59) MKNK1MKNK2MAP4K4NOS3NOS1
SCHEMBL4582572 0.80 MKNK1 (0.59) MKNK1MKNK2MAP4K4NOS3NOS1
SCHEMBL4582777 0.79 MAP4K4 (0.69) MKNK1MKNK2MAP4K4NOS3NOS1
SCHEMBL29442167 0.79 MAP4K4 (0.58) MKNK1MKNK2MAP4K4NOS3NOS1
SCHEMBL11127668 0.79 MAP4K4 (0.58) MKNK1MKNK2MAP4K4NOS3NOS1

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 MKNK1 417/4885MKNK2 539/4885MAP4K4 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.