SCHEMBL2722154

SCHEMBL2722154

CC(N[S+]([O-])C(C)(C)C)c1cnc2c(Cl)cc(F)cc2c1-c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNF P01375 8/20 0.38
PIK3CD O00329 4/20 0.33
PIK3CA P42336 3/20 0.33
PIK3CB P42338 3/20 0.33
PIK3CG P48736 3/20 0.33
MAPK14 Q16539 3/20 0.32
LIMK1 P53667 1/20 0.32
LIMK2 P53671 1/20 0.32
CBFB Q13951 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL2718326 0.90 PIK3CD (0.33) TNFPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4104549 0.85 PIK3CD (0.39) TNFPIK3CDMAPK14LIMK1LIMK2
SCHEMBL2720782 0.79 CCR1 (0.38) TNFPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2722157 0.78 MAPK14 (0.33) TNFMAPK14CBFB
SCHEMBL4092153 0.74 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4086456 0.74 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2721188 0.73 RXFP1 (0.32) CBFBMEN1KMT2ARXFP1
SCHEMBL2721186 0.73 RXFP1 (0.32) CBFBMEN1KMT2ARXFP1
SCHEMBL15437102 0.71 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15437009 0.71 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CG

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 4 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
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 TNF 507/4885PIK3CD 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.