SCHEMBL2016428

SCHEMBL2016428

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.48
PIK3CD O00329 3/20 0.46
NOTUM Q6P988 1/20 0.33
GCGR P47871 1/20 0.33
TAAR1 Q96RJ0 3/20 0.33
KDM4E B2RXH2 1/20 0.33
DHODH Q02127 1/20 0.31
L3MBTL1 Q9Y468 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) BCL2PIK3CDNOTUMGCGRTAAR1
SCHEMBL2017233 0.88 BCL2 (0.60) BCL2PIK3CDNOTUMGCGRKDM4E
SCHEMBL2163803 0.88 BCL2 (0.60) BCL2PIK3CDNOTUMGCGRKDM4E
SCHEMBL2016660 0.88 PIK3CD (0.46) BCL2PIK3CDNOTUMGCGRDHODH
SCHEMBL2014786 0.84 PIK3CD (0.46) BCL2PIK3CDKDM4EL3MBTL1MAP4K4
SCHEMBL15617696 0.82 BCL2 (0.44) BCL2PIK3CDGCGR
Cadaverine Tartrate SCHEMBL2163375 0.80 BCL2 (0.53) BCL2PIK3CDKDM4EL3MBTL1DPP4
Trifluoroacetic Acid SCHEMBL2012076 0.80 BCL2 (0.53) BCL2PIK3CDL3MBTL1DPP4
SCHEMBL12632222 0.78 PIK3CD (0.59) BCL2PIK3CDNOTUMGCGRL3MBTL1
SCHEMBL2016433 0.77 TAAR1 (0.43) BCL2PIK3CDNOTUMGCGRTAAR1

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 8 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
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 BCL2 1174/4885PIK3CD 13/4885NOTUM 3968/4885

“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.