SCHEMBL2017931

SCHEMBL2017931

CC(OS(C)(=O)=O)c1cc(Cl)c2ccncc2c1-c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.41
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
PIK3CD O00329 2/20 0.36
BCL2 P10415 1/20 0.36
JAK2 O60674 2/20 0.36
DGAT2 Q96PD7 3/20 0.35
GRM5 P41594 1/20 0.35
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
SCN9A Q15858 1/20 0.33
PLK4 O00444 1/20 0.33
BRD4 O60885 1/20 0.33
ALK Q9UM73 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL2015153 0.82 BCL2 (0.41) SLC22A12CSNK2A2CSNK2BPIK3CDBCL2
SCHEMBL2014651 0.82 PIK3CD (0.39) SLC22A12CSNK2A2CSNK2BPIK3CDBCL2
SCHEMBL15621376 0.79 PIK3CD (0.38) SLC22A12CSNK2A2CSNK2BPIK3CDBCL2
SCHEMBL12470054 0.79 PIK3CD (0.38) SLC22A12CSNK2A2CSNK2BPIK3CDBCL2
SCHEMBL2166300 0.79 PIK3CD (0.36) PIK3CDBCL2GRM5PTGS2SCN9A
SCHEMBL2017932 0.77 SLC22A12 (0.40) SLC22A12CSNK2A2CSNK2BDGAT2GRM5
SCHEMBL15617723 0.76 BCL2 (0.38) SLC22A12CSNK2A2CSNK2BPIK3CDBCL2
SCHEMBL2018303 0.69 PIK3CD (0.41) PIK3CDBCL2PTGS2PTGS1SCN9A
SCHEMBL20247323 0.69 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL18393135 0.69 PTGS2 (0.36) PTGS2PTGS1

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-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 SLC22A12 3899/4885CSNK2A2 220/4885CSNK2B 227/4885

“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.