SCHEMBL2016660

SCHEMBL2016660

CC(O)c1cc(F)c2ccnnc2c1-c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.46
BCL2 P10415 1/20 0.46
GCGR P47871 1/20 0.35
NOTUM Q6P988 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRIN2B Q13224 1/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
TOP2A P11388 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
DHODH Q02127 1/20 0.31
ESR2 Q92731 1/20 0.31
DPP4 P27487 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MAP4K4 O95819 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
SCHEMBL12631928 0.90 PIK3CD (0.47) PIK3CDBCL2GCGRNOTUML3MBTL1
SCHEMBL2163762 0.88 PIK3CD (0.58) PIK3CDBCL2GCGRNOTUML3MBTL1
SCHEMBL2019258 0.88 PIK3CD (0.58) PIK3CDBCL2GCGRNOTUML3MBTL1
SCHEMBL2016428 0.88 BCL2 (0.48) PIK3CDBCL2GCGRNOTUML3MBTL1
SCHEMBL15617696 0.82 BCL2 (0.44) PIK3CDBCL2GCGR
SCHEMBL12632222 0.78 PIK3CD (0.59) PIK3CDBCL2GCGRNOTUML3MBTL1
SCHEMBL2012742 0.77 PIK3CD (0.46) PIK3CDBCL2L3MBTL1
SCHEMBL2163803 0.76 BCL2 (0.60) PIK3CDBCL2GCGRNOTUMADORA2A
SCHEMBL2017233 0.76 BCL2 (0.60) PIK3CDBCL2GCGRNOTUMADORA2A
SCHEMBL2016661 0.76 PIK3CD (0.36) PIK3CDBCL2GCGRNOTUMGRIN2B

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 7 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-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
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
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 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 PIK3CD 13/4885BCL2 1174/4885GCGR 251/4885

“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.