SCHEMBL14849005

SCHEMBL14849005

Cc1c(N2CCCCC2)nc2cc(F)cc(F)c2c1Nc1cccc(N2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.49
PIK3CD O00329 1/20 0.41
PDE10A Q9Y233 4/20 0.38
MAPK14 Q16539 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL247990 0.91 PIK3CA (0.48) PIK3CAPIK3CDMAPK14KDM4E
SCHEMBL248725 0.88 PIK3CA (0.50) PIK3CAPIK3CD
SCHEMBL245762 0.88 PIK3CA (0.43) PIK3CAPIK3CDKDM4E
SCHEMBL245594 0.87 PIK3CA (0.52) PIK3CAPIK3CD
SCHEMBL247290 0.87 PIK3CA (0.52) PIK3CAPIK3CD
SCHEMBL252079 0.87 PIK3CA (0.43) PIK3CAPIK3CDKDM4E
SCHEMBL248133 0.87 PIK3CA (0.43) PIK3CAPIK3CDKDM4E
SCHEMBL248229 0.86 PIK3CA (0.51) PIK3CAPIK3CD
SCHEMBL248486 0.84 PIK3CA (0.53) PIK3CAPIK3CD
SCHEMBL248279 0.81 PIK3CD (0.63) PIK3CAPIK3CD

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-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 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-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 28/4885PIK3CD 24/4885PDE10A 3392/4885

“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.