Sugi Predict

Sugi Predict / Compounds / SCHEMBL2014632

SCHEMBL2014632

SCHEMBL2014632

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

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ COMT P21964 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ FLT1 P17948 1/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ DCTPP1 Q9H773 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ GAA P10253 1/20 0.30

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 0.90 MEN1 (0.35) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL2017918 0.83 GAA (0.37) EPAS1MEN1KMT2AALDH1A1HPGD
SCHEMBL12631936 0.82 TDP1 (0.34) EPAS1TDP1MEN1KMT2ACOMT
SCHEMBL2016557 0.82 COMT (0.39) TDP1MEN1KMT2ACOMTALDH1A1
SCHEMBL2017982 0.76 MEN1 (0.37) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL2163689 0.75 EPAS1 (0.32) EPAS1TDP1SMN1; SMN2
SCHEMBL2163698 0.75 ALDH1A1 (0.32) ALDH1A1HPGDSMN1; SMN2
SCHEMBL2163704 0.75 ALDH1A1 (0.32) ALDH1A1HPGDSMN1; SMN2
SCHEMBL2015127 0.73 CSNK1D (0.35) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL12473320 0.72 MEN1 (0.38) TDP1MEN1KMT2AALDH1A1HPGD

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 6 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
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 EPAS1 1893/4885TDP1 2910/4885MEN1 4620/4885

“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.