SCHEMBL2013162

SCHEMBL2013162

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.34
EIF4E P06730 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
GFER P55789 2/20 0.31
MAOB P27338 1/20 0.31
DHODH Q02127 2/20 0.31
KMO O15229 1/20 0.31
MAPT P10636 3/20 0.30
ARNT P27540 1/20 0.30
EPAS1 Q99814 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 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
SCHEMBL2015516 0.83 TRPM8 (0.36) TRPM8MAOBDHODHKMOMAPT
SCHEMBL12632710 0.81 FBP1 (0.39) FBP1TRPM8EIF4EAKR1C3AKR1C2
SCHEMBL2013163 0.80 FBP1 (0.31) FBP1
SCHEMBL2014020 0.79 MEN1 (0.35) FBP1MAPTKMT2AKDM4EALDH1A1
SCHEMBL2014647 0.79 MAPT (0.33) MAPTTHRBALDH1A1USP7
SCHEMBL2164035 0.75 TRPM8 (0.31) TRPM8MAOB
SCHEMBL2164040 0.75 TRPM8 (0.31) TRPM8MAOB
SCHEMBL2017942 0.73 FBP1 (0.40) FBP1TRPM8DHODHMAPTKMT2A
SCHEMBL2013349 0.70 HSD11B1 (0.35)
SCHEMBL2014632 0.68 EPAS1 (0.32) EPAS1KMT2AKDM4EALDH1A1HPGD

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 FBP1 3474/4885TRPM8 4741/4885EIF4E 1445/4885

“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.