SCHEMBL2721156

SCHEMBL2721156

CC(N)c1cnc2ccc(F)cc2c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.41
PIK3CD O00329 5/20 0.41
PIK3CA P42336 5/20 0.41
PIK3CB P42338 5/20 0.41
PIK3CG P48736 5/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.40
JAK2 O60674 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
DHODH Q02127 2/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2718686 0.85 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2721133 0.83 ADORA2A (0.40) CLK1ATMHPGDKDM4EALDH1A1
SCHEMBL2719827 0.82 ALDH1A1 (0.46) MEN1KMT2AGAAHPGDKDM4E
SCHEMBL2720943 0.77 JAK2 (0.40) CTDSP1TDP1JAK2HTTCYP3A4
SCHEMBL4102196 0.77 JAK2 (0.40) CTDSP1TDP1JAK2HTTCYP3A4
SCHEMBL28565071 0.77 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL20061345 0.77 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL28553276 0.77 TDP1 (0.43) CTDSP1TDP1MEN1KMT2APOLB
SCHEMBL2721157 0.74 HTR2A (0.40) CTDSP1TDP1MEN1KMT2APOLB
SCHEMBL4100943 0.74 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2014-01-30 US disclosed
EP-2635565-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS Amgen Inc. (US) 2013-09-11 EP disclosed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 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-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 CLK1 2378/4885PIK3CD 1672/4885PIK3CA 1430/4885

“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.