SCHEMBL1364902

SCHEMBL1364902

Cc1cc(C(=O)c2c[nH]c3ncc(-c4cccc(C=CC(=O)O)c4)cc23)nn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.45
AAK1 Q2M2I8 1/20 0.43
PAK1 Q13153 6/20 0.42
PIM2 Q9P1W9 2/20 0.41
ITK Q08881 2/20 0.40
BTK Q06187 1/20 0.40
PKN1 Q16512 1/20 0.40
PIK3CA P42336 1/20 0.40
NEK1 Q96PY6 1/20 0.39
CAMKK2 Q96RR4 2/20 0.39
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
MAPK13 O15264 1/20 0.39
PDPK1 O15530 1/20 0.39
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
PRKD3 O94806 1/20 0.39

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
SCHEMBL859107 1.00 AXL (0.45) AXLAAK1PAK1PIM2ITK
SCHEMBL1362399 0.84 AXL (0.46) AXLAAK1PAK1PIM2ITK
SCHEMBL858906 0.84 AXL (0.46) AXLAAK1PAK1PIM2ITK
SCHEMBL10263401 0.83 AAK1 (0.49) AXLAAK1PAK1ITKBTK
SCHEMBL857911 0.83 KIT (0.52) AXLAAK1PAK1PKN1PIK3CA
SCHEMBL858062 0.83 AXL (0.56) AXLAAK1PAK1ITKNEK1
SCHEMBL858780 0.81 BRD4 (0.51) AXLAAK1PAK1PIK3CANEK1
SCHEMBL4301666 0.80 PIK3CA (0.51) AXLPAK1ITKBTKPIK3CA
SCHEMBL856825 0.79 PAK1 (0.54) AXLAAK1PAK1PIM2ITK
SCHEMBL1362188 0.79 PAK1 (0.54) AXLAAK1PAK1PIM2ITK

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 AXL 38/4885AAK1 2341/4885PAK1 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.