SCHEMBL2017982

SCHEMBL2017982

COC(=O)c1cc(Cl)c(C#N)c([N+](=O)[O-])c1-c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 2/20 0.37
FBP1 P09467 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
ADORA1 P30542 2/20 0.35
IDO1 P14902 1/20 0.35
PIK3CD O00329 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
ADORA2B P29275 1/20 0.34
LMNA P02545 1/20 0.34
MAPK14 Q16539 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NRP1 O14786 1/20 0.34

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
SCHEMBL2014020 0.86 MEN1 (0.35) MEN1KMT2AALDH1A1FBP1LMNA
SCHEMBL12473320 0.82 MEN1 (0.38) MEN1KMT2AALDH1A1FBP1LMNA
SCHEMBL2016162 0.77 COMT (0.44) MEN1KMT2AALDH1A1LMNATDP1
SCHEMBL2014632 0.76 EPAS1 (0.32) MEN1KMT2AALDH1A1TDP1HPGD
SCHEMBL2017942 0.73 FBP1 (0.40) MEN1KMT2AALDH1A1FBP1LMNA
SCHEMBL2015127 0.71 CSNK1D (0.35) MEN1KMT2AALDH1A1ADORA1MAPK14
SCHEMBL1324493 0.71 ADORA2B (0.42) MEN1KMT2AALDH1A1ADORA1ADORA2B
SCHEMBL12631936 0.71 TDP1 (0.34) MEN1KMT2AALDH1A1LMNATDP1
SCHEMBL2013980 0.70 COMT (0.33) MEN1KMT2AALDH1A1TDP1HPGD
SCHEMBL5191949 0.69 ABCB1 (0.48) MEN1KMT2AALDH1A1FBP1

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 MEN1 4620/4885KMT2A 1147/4885ALDH1A1 3722/4885

“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.