SCHEMBL2013344

SCHEMBL2013344

N#Cc1cc(C=O)c(-c2cccc(F)c2)c2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.41
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
IDO1 P14902 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2014752 0.82 KMT2A (0.40) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL12632014 0.82 MAP4K4 (0.40) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL2010638 0.77 MAP4K4 (0.40) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL2013332 0.77 MAP4K4 (0.42) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL2010635 0.77 PIK3CD (0.44) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL2013331 0.77 PIK3CD (0.44) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL15621512 0.75 PIK3CD (0.43) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL12469976 0.75 PIK3CD (0.43) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL2018303 0.74 PIK3CD (0.41) MAP4K4PIK3CDPDE4APDE4CPDE4D
SCHEMBL12470338 0.73 PIK3CD (0.42) MAP4K4CDC7ROCK2PIM1PRKACA

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 MAP4K4 914/4885CDC7 1321/4885ROCK2 1074/4885

“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.