SCHEMBL2013980

SCHEMBL2013980

COC(=O)c1cc(Cl)c(C#N)c([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
EPAS1 Q99814 2/20 0.32
PARP14 Q460N5 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
VCAM1 P19320 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 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

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
SCHEMBL2163689 0.86 EPAS1 (0.32) EPAS1TDP1VCAM1SMN1; SMN2
SCHEMBL29741252 0.84 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDEPAS1SLC22A12
SCHEMBL15621478 0.84 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDEPAS1SLC22A12
SCHEMBL2016162 0.77 COMT (0.44) COMTALDH1A1KDM4EHPGDTDP1
SCHEMBL2034810 0.73 HSD11B1 (0.37) ALDH1A1TDP1PKMMEN1KMT2A
SCHEMBL8268186 0.72 VCAM1 (0.41) ALDH1A1EPAS1PARP14TDP1VCAM1
SCHEMBL2393802 0.72 POLB (0.39) ALDH1A1KDM4EHPGDPARP14VCAM1
SCHEMBL2017982 0.70 MEN1 (0.37) ALDH1A1KDM4EHPGDTDP1SMN1; SMN2
SCHEMBL2033210 0.70 HSD11B1 (0.37) EPAS1SLC22A12HSD11B1SCN9A
SCHEMBL30989503 0.70 CA12 (0.42) ALDH1A1KDM4ETDP1VCAM1PKM

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 COMT 2190/4885ALDH1A1 3722/4885KDM4E 1058/4885

“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.