SCHEMBL1634643

SCHEMBL1634643

COc1cc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.53
SRC P12931 7/20 0.53
ZAP70 P43403 7/20 0.53
CDK2 P24941 4/20 0.40
GSK3B P49841 3/20 0.40
CHEK1 O14757 3/20 0.40
STK16 O75716 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CDK4 P11802 2/20 0.40
AXL P30530 2/20 0.39
TYRO3 Q06418 2/20 0.39
MERTK Q12866 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
JAK2 O60674 2/20 0.37

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 0.92 SYK (0.47) SYKSRCZAP70CHEK1AXL
SCHEMBL1571587 0.86 CYP1A2 (0.44) SYKSRCZAP70CDK2CHEK1
SCHEMBL1632924 0.84 PRKCZ (0.39) SYKCHEK1AXLTYRO3MERTK
SCHEMBL1633716 0.83 PRKCZ (0.38) SYKCDK2CHEK1CDK4JAK2
SCHEMBL1633274 0.82 PRKCQ (0.45) SYKSRCZAP70CHEK1AXL
SCHEMBL13363268 0.81 PRKCZ (0.39) SYKCHEK1AXLTYRO3MERTK
SCHEMBL13336215 0.80 BRAF (0.41) SYKCHEK1JAK2JAK1JAK3
SCHEMBL13335980 0.80 SYK (0.44) SYKGSK3BCHEK1TYRO3JAK2
SCHEMBL13336156 0.80 BRAF (0.41) SYKAXLTYRO3JAK2JAK1
SCHEMBL1635190 0.80 SYK (0.49) SYKSRCZAP70CDK2GSK3B

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 3 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-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 SYK 4204/4885SRC 1131/4885ZAP70 2747/4885

“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.