SCHEMBL1363653

SCHEMBL1363653

COc1cccc(C(=O)c2c[nH]c3nccc(-c4cccc(C=CC(=O)O)c4)c23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.50
BTK Q06187 2/20 0.47
PIM2 Q9P1W9 1/20 0.45
CYP1A1 P04798 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP1B1 Q16678 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 2/20 0.43
BCHE P06276 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
DYRK3 O43781 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
NTRK1 P04629 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
SCHEMBL858239 1.00 LRRK2 (0.50) LRRK2BTKPIM2CYP1A1CYP1A2
SCHEMBL858237 0.84 LRRK2 (0.56) LRRK2BTKMEN1GAAMAPT
SCHEMBL1362011 0.84 PIM2 (0.46) LRRK2PIM2CYP1B1MAOBDYRK3
SCHEMBL1362007 0.84 PIM2 (0.46) LRRK2PIM2CYP1B1MAOBDYRK3
SCHEMBL1363467 0.83 LRRK2 (0.55) LRRK2BTKMEN1GAAMAPT
SCHEMBL859098 0.83 LRRK2 (0.54) LRRK2BTKCYP1A1CYP1A2CYP1B1
SCHEMBL1362095 0.83 PIM2 (0.47) LRRK2BTKPIM2MEN1KMT2A
SCHEMBL856856 0.83 PIM2 (0.47) LRRK2BTKPIM2MEN1KMT2A
SCHEMBL857267 0.81 AAK1 (0.57) PIM2BCHEDYRK3ROCK2PRKD3
SCHEMBL1363682 0.81 AAK1 (0.57) PIM2BCHEDYRK3ROCK2PRKD3

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 LRRK2 96/4885BTK 1809/4885PIM2 2832/4885

“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.