SCHEMBL1633274

SCHEMBL1633274

COc1cc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)cc(-n2nnnc2C)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 8/20 0.45
SYK P43405 5/20 0.38
SRC P12931 2/20 0.38
ZAP70 P43403 2/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
FGFR1 P11362 2/20 0.36
FGFR4 P22455 1/20 0.36
KDR P35968 1/20 0.36
PRKCZ Q05513 1/20 0.34
PTK2 Q05397 1/20 0.33
CHEK1 O14757 1/20 0.33
AXL P30530 1/20 0.33
TYRO3 Q06418 1/20 0.33

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
SCHEMBL1633882 0.88 SYK (0.47) SYKSRCZAP70JAK2JAK1
SCHEMBL1571587 0.83 CYP1A2 (0.44) SYKSRCZAP70JAK2JAK1
SCHEMBL1634643 0.82 SYK (0.53) SYKSRCZAP70JAK2JAK1
SCHEMBL13335980 0.79 SYK (0.44) SYKJAK2JAK1TYK2JAK3
SCHEMBL1632924 0.78 PRKCZ (0.39) SYKJAK2JAK1TYK2JAK3
SCHEMBL3465145 0.78 PRKCQ (0.44) PRKCQSYKSRCZAP70
SCHEMBL13336156 0.78 BRAF (0.41) SYKJAK2JAK1TYK2JAK3
SCHEMBL1633716 0.78 PRKCZ (0.38) SYKJAK2JAK1TYK2JAK3
SCHEMBL13336057 0.77 BRAF (0.41) SYKJAK2JAK1TYK2JAK3
SCHEMBL1571934 0.76 JAK2 (0.42) SYKJAK2JAK1TYK2JAK3

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 11 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
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO 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 PRKCQ 150/4885SYK 4204/4885SRC 1131/4885

“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.