SCHEMBL17201976

SCHEMBL17201976

Nc1ccnc(-c2cnc(N3CC(F)(F)C3)nc2)n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 3/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
PIK3R1 P27986 3/20 0.33
PIK3CA P42336 3/20 0.33
MTOR P42345 2/20 0.33
DYRK1A Q13627 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
IRAK1 P51617 2/20 0.31
TRPA1 O75762 1/20 0.31
LRRK2 Q5S007 1/20 0.31
ROCK2 O75116 1/20 0.31
FEN1 P39748 3/20 0.31
ALOX5AP P20292 2/20 0.31
PDE4B Q07343 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
SCHEMBL17202011 0.86 GSK3A (0.37) MAP3K12PIK3R1PIK3CAMTORPIK3CD
SCHEMBL17201969 0.85 PTPN11 (0.39) MAP3K12DYRK1AROCK2
SCHEMBL17202033 0.82 TRPA1 (0.42) IRAK4PIK3R1PIK3CAMTORTRPA1
SCHEMBL21861322 0.81 MAP3K12 (0.42) MAP3K12IRAK4PIK3CAMTORIRAK1
SCHEMBL17210409 0.81 PIK3CA (0.40) IRAK4PIK3R1PIK3CAMTORDYRK1A
SCHEMBL22119645 0.80 MKNK1 (0.41) MAP3K12PIK3R1PIK3CADYRK1APIK3CD
SCHEMBL23073664 0.79 ROCK1 (0.41) PIK3R1PIK3CAMTORDYRK1APIK3CD
SCHEMBL18539061 0.77 MTOR (0.38) IRAK4PIK3R1PIK3CAMTORDYRK1A
SCHEMBL17202046 0.77 DYRK1A (0.41) MAP3K12IRAK4PIK3R1PIK3CAMTOR
SCHEMBL17201970 0.77 PIK3CA (0.35) MAP3K12IRAK4PIK3R1PIK3CAMTOR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134410-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2021-03-10 EP disclosed
EP-3134410-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2021-03-10 EP disclosed
US-10428072-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-10-01 US disclosed
US-10428072-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-10-01 US disclosed
EP-3134410-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL Hydra Biosciences, Inc. (US) 2017-03-01 EP disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
WO-2015164643-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2015-10-29 WO disclosed
WO-2015164643-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2015-10-29 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 (2 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-10428072-B2 Inhibiting the transient receptor potential A1 ion channel TRPA1, TRPV1, TRPV2 MAP3K12 1885/4885IRAK4 830/4885OPRM1 229/4885
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPA1, TRPV1, TRPV2 MAP3K12 1885/4885IRAK4 830/4885OPRM1 229/4885

“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.