SCHEMBL1633401

SCHEMBL1633401

Cc1ccc(OC2CCN(C(C)C)CC2)c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)ncc12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.51
MAPK10 P53779 1/20 0.49
LRRK2 Q5S007 11/20 0.48
JAK2 O60674 2/20 0.48

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
SCHEMBL1632375 0.92 LRRK2 (0.51) HRH3MAPK10LRRK2JAK2
SCHEMBL1633497 0.89 MAPK10 (0.50) MAPK10LRRK2JAK2
SCHEMBL1633947 0.87 MAPK10 (0.58) HRH3MAPK10LRRK2JAK2
SCHEMBL12764495 0.87 MAPK10 (0.51) MAPK10LRRK2JAK2
SCHEMBL1634193 0.80 BRD4 (0.41) HRH3JAK2
SCHEMBL12764745 0.80 MAPK10 (0.59) MAPK10LRRK2JAK2
SCHEMBL1633501 0.79 LRRK2 (0.51) MAPK10LRRK2JAK2
SCHEMBL1632952 0.79 LRRK2 (0.54) MAPK10LRRK2JAK2
SCHEMBL13498322 0.79 LRRK2 (0.51) MAPK10LRRK2JAK2
SCHEMBL1633387 0.78 LRRK2 (0.54) HRH3MAPK10LRRK2JAK2

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 HRH3 3514/4885MAPK10 402/4885LRRK2 454/4885

“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.