SCHEMBL2016004

SCHEMBL2016004

COc1ccc(-c2c(C(C)Nc3ncnc4[nH]cnc34)cc(Cl)c3ccnnc23)cc1F

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.59
BCL2 P10415 1/20 0.53
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
EGFR P00533 3/20 0.33
AURKA O14965 4/20 0.33
RPS6KB1 P23443 4/20 0.33
AURKB Q96GD4 3/20 0.33
DYRK1A Q13627 2/20 0.33
SOS1 Q07889 1/20 0.33
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
PIK3CA P42336 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
SCHEMBL2015839 0.86 PIK3CD (0.63) PIK3CDBCL2AXLMERTKEGFR
SCHEMBL2012482 0.86 PIK3CD (0.67) PIK3CDBCL2AXLMERTKEGFR
SCHEMBL30194068 0.85 PIK3CD (0.79) PIK3CDBCL2AXLMERTK
SCHEMBL31405546 0.85 PIK3CD (0.79) PIK3CDBCL2AXLMERTK
SCHEMBL2014247 0.85 PIK3CD (0.79) PIK3CDBCL2AXLMERTK
SCHEMBL2163350 0.85 PIK3CD (0.79) PIK3CDBCL2AXLMERTK
SCHEMBL2013507 0.83 PIK3CD (0.64) PIK3CDBCL2AXLMERTKEGFR
SCHEMBL2016979 0.83 PIK3CD (0.59) PIK3CDBCL2AXLMERTKEGFR
SCHEMBL2050306 0.82 PIK3CD (0.42) PIK3CDBCL2EGFRAURKAAURKB
SCHEMBL2012816 0.79 PIK3CD (0.59) PIK3CDBCL2AXLMERTKRPS6KB1

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 11 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 claimed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US claimed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO claimed
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 PIK3CD 13/4885BCL2 1174/4885AXL 508/4885

“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.