SCHEMBL243776

SCHEMBL243776

Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cncc(N4CCOCC4)n3)c2C)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.52
PIK3CD O00329 2/20 0.52
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
SYK P43405 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
SCHEMBL246138 0.89 PIK3CD (0.53) PIK3CAPIK3CD
SCHEMBL247135 0.88 PIK3CA (0.50) PIK3CAPIK3CDSYK
SCHEMBL246948 0.86 PIK3CD (0.49) PIK3CAPIK3CD
SCHEMBL2711467 0.85 PIK3CA (0.58) PIK3CAPIK3CD
SCHEMBL249148 0.84 PIK3CD (0.55) PIK3CAPIK3CD
SCHEMBL2712531 0.81 PIK3CD (0.65) PIK3CAPIK3CD
SCHEMBL248279 0.81 PIK3CD (0.63) PIK3CAPIK3CD
SCHEMBL247436 0.80 PIK3CA (0.44) PIK3CAPIK3CD
SCHEMBL249029 0.79 PIK3CD (0.52) PIK3CAPIK3CD
SCHEMBL248643 0.79 PIK3CD (0.52) PIK3CAPIK3CDRAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588473-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 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-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CA 26/4885PIK3CD 25/4885IKBKE 14/4885

“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.