SCHEMBL248441

SCHEMBL248441

CCCc1nc2cc(F)ccc2cc1[C@H](C)N

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.37
HTR2A P28223 4/20 0.37
BACE1 P56817 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
PIK3CD O00329 6/20 0.34
GCGR P47871 1/20 0.33
KCNH2 Q12809 1/20 0.33
F2RL1 P55085 3/20 0.33
DHFR P00374 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
SCHEMBL14873074 0.78 BACE1 (0.40) HTR2CHTR2ABACE1PIK3CD
SCHEMBL248442 0.77 IDO1 (0.42) HTR2ABACE1HRH4DHFR
SCHEMBL252645 0.75 TDP1 (0.34) PIK3CD
SCHEMBL252646 0.75 TDP1 (0.34) PIK3CD
SCHEMBL19344382 0.73 PIK3CD (0.54) HTR2CHTR2ABACE1PIK3CD
SCHEMBL22476058 0.73 PIK3CD (0.54) HTR2CHTR2ABACE1PIK3CD
SCHEMBL22476051 0.72 PIK3CD (0.54) PIK3CD
SCHEMBL19344731 0.72 PIK3CD (0.54) PIK3CD
SCHEMBL246482 0.72 PIK3CD (0.49) PIK3CD
SCHEMBL249839 0.72 PIK3CD (0.49) PIK3CD

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-2588469-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-18 US disclosed
US-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-18 US disclosed
US-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-18 US disclosed
WO-2012003271-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003271-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-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 HTR2C 1594/4885HTR2A 1851/4885BACE1 3024/4885

“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.