SCHEMBL247693

SCHEMBL247693

Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Br)c2C)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.47
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
PIK3CD O00329 2/20 0.35
CYP2A6 P11509 1/20 0.32
METAP2 P50579 1/20 0.32
SYK P43405 1/20 0.32
NPC1 O15118 2/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL244823 0.85 PIK3CA (0.47) PIK3CACCR1CCR5CCR8PIK3CD
SCHEMBL2714914 0.85 KDM4E (0.49) PIK3CAPIK3CDNPC1KDM4E
SCHEMBL2713525 0.78 PIK3CD (0.41) PIK3CACCR1CCR5CCR8PIK3CD
SCHEMBL2731731 0.75 CCR1 (0.47) PIK3CACCR1CCR5CCR8CYP2A6
SCHEMBL2711726 0.74 PIK3CA (0.39) PIK3CAPIK3CDNPC1KDM4E
SCHEMBL248675 0.73 BCHE (0.36)
SCHEMBL2710937 0.71 PIK3CD (0.41) PIK3CAPIK3CD
SCHEMBL2124596 0.70 PIK3CA (0.47) PIK3CACCR1CCR5CCR8PIK3CD
SCHEMBL2712847 0.70 PIK3CA (0.36) PIK3CAPIK3CD
SCHEMBL2715330 0.70 PIK3CD (0.37) PIK3CAPIK3CDNPC1MEN1KMT2A

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-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY 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-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 28/4885CCR1 1195/4885CCR5 1985/4885

“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.