SCHEMBL1633332

SCHEMBL1633332

Cc1ccc(OC2CCNCC2)c2nc(Nc3ccc(C(=O)NC4CC4)cc3)ncc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 5/20 0.53
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
BRD4 O60885 7/20 0.47
SYK P43405 2/20 0.46
JAK2 O60674 3/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
CDK2 P24941 1/20 0.43
KCNH2 Q12809 1/20 0.43
AXL P30530 1/20 0.43
TBK1 Q9UHD2 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
SCHEMBL1634490 0.98 PTK2 (0.55) PTK2AURKAAURKBBRD4SYK
SCHEMBL1634030 0.90 TBK1 (0.53) PTK2AURKAJAK2JAK1TYK2
SCHEMBL1633108 0.90 PTK2 (0.51) PTK2AURKAAURKBBRD4SYK
SCHEMBL1632937 0.90 PTK2 (0.51) PTK2AURKAAURKBBRD4SYK
SCHEMBL13498225 0.89 TYK2 (0.45) PTK2JAK2JAK1TYK2JAK3
SCHEMBL1633442 0.88 PTK2 (0.53) PTK2AURKAAURKBBRD4SYK
SCHEMBL1633209 0.85 JAK2 (0.61) PTK2AURKAAURKBBRD4SYK
SCHEMBL1633497 0.82 MAPK10 (0.50) PTK2JAK2JAK1TYK2JAK3
SCHEMBL1632918 0.82 BRD4 (0.58) PTK2AURKAAURKBBRD4
SCHEMBL13498284 0.82 BRD4 (0.49) PTK2AURKAAURKBBRD4

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 PTK2 560/4885AURKA 576/4885AURKB 452/4885

“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.