SCHEMBL1363839

SCHEMBL1363839

O=C(O)C=Cc1cccc(-c2cnc3[nH]cc(C(=O)c4cccc(Cl)c4Cl)c3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 8/20 0.50
PAK4 O96013 2/20 0.47
PKN1 Q16512 1/20 0.47
AXL P30530 4/20 0.45
ITK Q08881 7/20 0.44
BTK Q06187 6/20 0.44
PIM2 Q9P1W9 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
MAPK13 O15264 1/20 0.41
PDPK1 O15530 1/20 0.41
DYRK3 O43781 1/20 0.41
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
PRKD3 O94806 1/20 0.41
CHEK2 O96017 1/20 0.41
ABL1 P00519 1/20 0.41

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
SCHEMBL857627 1.00 PAK1 (0.50) PAK1PAK4PKN1AXLITK
SCHEMBL858616 0.88 PAK1 (0.54) PAK1PAK4PKN1AXLITK
SCHEMBL1362188 0.86 PAK1 (0.54) PAK1PAK4AXLITKBTK
SCHEMBL856825 0.86 PAK1 (0.54) PAK1PAK4AXLITKBTK
SCHEMBL856813 0.84 PAK1 (0.48) PAK1PKN1AXLAAK1
SCHEMBL857957 0.82 KIT (0.56) PAK1PAK4PKN1AXLITK
SCHEMBL857825 0.81 PAK1 (0.44) PAK1PAK4AXLITKPIM2
SCHEMBL1364351 0.80 PIM2 (0.45) BTKPIM2EGFRFYNPIM1
SCHEMBL857900 0.80 PIM2 (0.45) BTKPIM2EGFRFYNPIM1
SCHEMBL857669 0.80 PAK1 (0.52) PAK1PAK4PKN1AXLITK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067434-B2 Compounds and methods for development of Ret modulators PLEXXIKON INC. (US) 2011-11-29 US claimed
US-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 US claimed
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US claimed

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-20100324065-A1 Compounds and methods for development of Ret Modulators RET, GFRA3, GFRA1 PAK1 298/4885PAK4 283/4885PKN1 2626/4885

“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.