SCHEMBL17201970

SCHEMBL17201970

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.35
MTOR P42345 5/20 0.35
EIF2AK4 Q9P2K8 1/20 0.34
MAP4K4 O95819 2/20 0.34
MAP3K12 Q12852 1/20 0.33
PIK3R1 P27986 1/20 0.33
TRPA1 O75762 5/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
SCN10A Q9Y5Y9 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
SCHEMBL17201968 0.90 MAP4K4 (0.43) PIK3CAMTOREIF2AK4MAP4K4MAP3K12
SCHEMBL17201967 0.86 PTPN11 (0.38) PIK3CAMTOREIF2AK4MAP4K4
SCHEMBL18539061 0.82 MTOR (0.38) PIK3CAMTOREIF2AK4PIK3R1TRPA1
SCHEMBL17202046 0.82 DYRK1A (0.41) PIK3CAMTORMAP3K12PIK3R1TRPA1
SCHEMBL17202033 0.82 TRPA1 (0.42) PIK3CAMTORPIK3R1TRPA1IRAK4
SCHEMBL23073661 0.81 CYP1A2 (0.45) TRPA1
SCHEMBL21861329 0.80 MTOR (0.36) PIK3CAMTORMAP3K12PIK3R1TRPA1
SCHEMBL17210409 0.77 PIK3CA (0.40) PIK3CAMTORPIK3R1IRAK4ALOX5AP
SCHEMBL17201976 0.77 MAP3K12 (0.34) PIK3CAMTORMAP3K12PIK3R1TRPA1
SCHEMBL23073664 0.76 ROCK1 (0.41) PIK3CAMTORPIK3R1

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 PIK3CA 2153/4885MTOR 2165/4885EIF2AK4 3687/4885
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPA1, TRPV1, TRPV2 PIK3CA 2153/4885MTOR 2165/4885EIF2AK4 3687/4885

“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.