SCHEMBL13756778

SCHEMBL13756778

C[C@@H]1CN(c2ncc(Nc3ncc4c(n3)N(c3cc(F)c(CN5CCOCC5)c(F)c3)CC4)cc2Cl)C[C@H](C)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.39
PIK3CA P42336 3/20 0.37
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
ALK Q9UM73 2/20 0.36
AXL P30530 3/20 0.35
WEE1 P30291 3/20 0.35
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
BRD4 O60885 2/20 0.34
SYK P43405 1/20 0.34
JAK2 O60674 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCL6 P41182 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
MTOR P42345 1/20 0.34
INSR P06213 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
SCHEMBL4288398 0.83 RPS6KA3 (0.47) STAT6AURKAAURKBBRD4JAK2
SCHEMBL4288402 0.83 RPS6KA3 (0.47) STAT6AURKAAURKBBRD4JAK2
SCHEMBL13756854 0.82 STAT6 (0.40) STAT6PIK3CAWEE1FLT3BRD4
SCHEMBL13756922 0.81 LRRK2 (0.41) STAT6PIK3CAAURKAAURKBALK
SCHEMBL13746946 0.80 RPS6KA3 (0.45) STAT6AURKAAURKBBRD4JAK2
SCHEMBL13756805 0.77 STAT6 (0.47) STAT6AURKAAURKBAXLSYK
SCHEMBL4284027 0.76 RPS6KA3 (0.47) STAT6BRD4JAK2
SCHEMBL4284029 0.76 RPS6KA3 (0.47) STAT6BRD4JAK2
SCHEMBL13756835 0.75 JAK1 (0.49) STAT6AURKBJAK2
SCHEMBL13756783 0.75 STAT6 (0.39) STAT6PIK3CAAURKAAURKBFLT3

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-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 STAT6 601/4885PIK3CA 211/4885AURKA 755/4885

“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.