SCHEMBL3465145

SCHEMBL3465145

COc1cc(Nc2ncc3ccc(OC4CCNC(c5nccs5)C4)cc3n2)cc(-n2nnnc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 9/20 0.44
SYK P43405 3/20 0.33
SRC P12931 2/20 0.33
ZAP70 P43403 2/20 0.33
BRD4 O60885 1/20 0.31
MAP4K1 Q92918 1/20 0.31
EIF2AK4 Q9P2K8 1/20 0.30

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
SCHEMBL1633274 0.78 PRKCQ (0.45) PRKCQSYKSRCZAP70
SCHEMBL1632083 0.71 IKBKB (0.47) SYKBRD4
SCHEMBL13363203 0.68 PRKCQ (0.53) PRKCQSYKBRD4EIF2AK4
SCHEMBL1871031 0.68 PRKCQ (0.53) PRKCQBRD4EIF2AK4
SCHEMBL13498327 0.68 IKBKB (0.43) SYKBRD4
SCHEMBL1634267 0.67 CDK4 (0.50) SRCBRD4MAP4K1
SCHEMBL3504389 0.67 PRKCQ (0.49) PRKCQSRCBRD4EIF2AK4
SCHEMBL3504386 0.66 PRKCQ (0.51) PRKCQBRD4EIF2AK4
SCHEMBL1635190 0.66 SYK (0.49) SYKSRCZAP70
SCHEMBL1634175 0.66 SYK (0.53) SYK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.