SCHEMBL1363811

SCHEMBL1363811

O=C(O)C=Cc1cccc(-c2cnc3[nH]cc(C(=O)c4ccc5nsnc5c4)c3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.45
AXL P30530 8/20 0.42
PAK1 Q13153 4/20 0.41
PIM2 Q9P1W9 1/20 0.41
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
PAK4 O96013 1/20 0.41
CHEK2 O96017 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
NTRK1 P04629 1/20 0.41
INSR P06213 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
SCHEMBL858350 1.00 AAK1 (0.45) AAK1AXLPAK1PIM2CDC7
SCHEMBL857797 0.83 KIT (0.52) AAK1AXLPAK1CDC7PLK4
SCHEMBL414830 0.81 BRD4 (0.48) AAK1AXLPAK1PIM2CDC7
SCHEMBL1363682 0.81 AAK1 (0.57) AAK1AXLPIM2DYRK3ROCK2
SCHEMBL414831 0.81 BRD4 (0.48) AAK1AXLPAK1PIM2CDC7
SCHEMBL857267 0.81 AAK1 (0.57) AAK1AXLPIM2DYRK3ROCK2
SCHEMBL858911 0.81 BRD4 (0.51) AAK1AXLNTRK1CDK2DYRK1A
SCHEMBL413488 0.80 AAK1 (0.49) AAK1AXLPAK1PIM2CDC7
SCHEMBL413487 0.80 AAK1 (0.49) AAK1AXLPAK1PIM2CDC7
SCHEMBL411334 0.79 AAK1 (0.48) AAK1AXLPAK1PIM2CDC7

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 AAK1 2341/4885AXL 38/4885PAK1 298/4885

“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.