SCHEMBL1949428

SCHEMBL1949428

Cc1cccc(Nc2nc(N3CC[C@H](N)C3)nc3cc[nH]c(=O)c23)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.59
FER P16591 6/20 0.52
SLC2A1 P11166 1/20 0.49
SRC P12931 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CAMK1D Q8IU85 6/20 0.41
JAK2 O60674 1/20 0.41
HTR3A P46098 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL1946682 1.00 LRRK2 (0.59) LRRK2FERSLC2A1SRCL3MBTL1
SCHEMBL12103789 0.94 LRRK2 (0.63) LRRK2FERSLC2A1SRCL3MBTL1
Hydrochloric Acid SCHEMBL1299001 0.94 LRRK2 (0.62) LRRK2FERSLC2A1SRCL3MBTL1
SCHEMBL12103773 0.89 LRRK2 (0.59) LRRK2FERSLC2A1CAMK1DJAK2
Hydrochloric Acid SCHEMBL1298071 0.88 LRRK2 (0.58) LRRK2FERSLC2A1CAMK1DJAK2
Hydrochloric Acid SCHEMBL1298076 0.88 LRRK2 (0.58) LRRK2FERSLC2A1CAMK1DJAK2
SCHEMBL1298211 0.88 LRRK2 (0.75) LRRK2FERSLC2A1SRCL3MBTL1
SCHEMBL12103492 0.86 LRRK2 (0.79) LRRK2CAMK1D
SCHEMBL12103542 0.86 LRRK2 (0.79) LRRK2CAMK1D
SCHEMBL1948415 0.86 LRRK2 (0.60) LRRK2FERSLC2A1SRCL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2330909-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-09-18 EP claimed
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
EP-2330909-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-09-18 EP disclosed
US-8383635-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-02-26 US disclosed
US-20110136838-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-06-09 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-20110136838-A1 CHEMICAL COMPOUNDS PDK1, PDK4, PDK3 LRRK2 793/4885FER 576/4885SLC2A1 1812/4885

“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.