SCHEMBL1633276

SCHEMBL1633276

CC(=O)N1CCC(Oc2cc3nc(Nc4ccc(N5CCOCC5)cc4)ncc3cc2-c2nccs2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.50
LRRK2 Q5S007 1/20 0.47
JAK2 O60674 3/20 0.46
TBK1 Q9UHD2 2/20 0.46
MAPK10 P53779 2/20 0.46
JUN P05412 1/20 0.46
MAPK8 P45983 1/20 0.46
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK6 Q00534 1/20 0.44
JAK3 P52333 3/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
ALK Q9UM73 3/20 0.42
BTK Q06187 2/20 0.42
ITK Q08881 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL1633430 0.90 MAPK10 (0.48) EGFRJAK2TBK1MAPK10JUN
SCHEMBL1633408 0.88 MAPK10 (0.47) EGFRLRRK2JAK2TBK1MAPK10
SCHEMBL1633436 0.87 MAPK10 (0.50) EGFRLRRK2JAK2TBK1MAPK10
SCHEMBL1868218 0.84 MAPK10 (0.53) LRRK2JAK2MAPK10JUNMAPK8
SCHEMBL1633457 0.83 EGFR (0.40) EGFRJAK2TBK1MAPK10JUN
SCHEMBL1633941 0.82 LRRK2 (0.43) LRRK2JAK2MAPK10JUNMAPK8
SCHEMBL1633459 0.80 SYK (0.46) EGFRLRRK2JAK2TBK1MAPK10
SCHEMBL13336221 0.79 MAP4K1 (0.42) EGFRJAK2
SCHEMBL13336223 0.77 CDK4 (0.39) EGFRJAK2CDK4CCND1CCNE1
SCHEMBL1571255 0.77 EGFR (0.44) EGFRJAK2JAK3JAK1TYK2

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 EGFR 1774/4885LRRK2 454/4885JAK2 1352/4885

“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.