SCHEMBL1633387

SCHEMBL1633387

CC(C)N1CCC(Nc2ccc(Cl)c3cnc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 16/20 0.54
JAK2 O60674 1/20 0.54
PTK2 Q05397 2/20 0.49
MAPK10 P53779 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
MAP3K9 P80192 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45

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
SCHEMBL1632509 0.91 LRRK2 (0.56) LRRK2JAK2PTK2MAPK10MAP3K9
SCHEMBL1632941 0.88 LRRK2 (0.54) LRRK2JAK2PTK2MAPK10MAP3K9
SCHEMBL12764746 0.82 MAPK10 (0.51) LRRK2JAK2PTK2MAPK10
SCHEMBL12724719 0.81 LRRK2 (0.54) LRRK2JAK2PTK2MAPK10MAP3K9
SCHEMBL12725748 0.80 LRRK2 (0.64) LRRK2JAK2PTK2MAPK10MAP3K9
SCHEMBL1633842 0.79 LRRK2 (0.54) LRRK2JAK2PTK2MAP3K9MKNK2
SCHEMBL1633401 0.78 HRH3 (0.51) LRRK2JAK2MAPK10HRH3
SCHEMBL1632375 0.78 LRRK2 (0.51) LRRK2JAK2MAPK10HRH3
SCHEMBL1633908 0.77 LRRK2 (0.56) LRRK2JAK2PTK2MAPK10
SCHEMBL1632952 0.76 LRRK2 (0.54) LRRK2JAK2PTK2MAPK10MAP3K9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 LRRK2 454/4885JAK2 1352/4885PTK2 560/4885

“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.