SCHEMBL17202011

SCHEMBL17202011

Nc1ccnc(-c2cnc(N3CCC(F)(F)CC3)nc2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PTPN11 Q06124 4/20 0.37
PIK3CA P42336 5/20 0.36
MTOR P42345 4/20 0.36
PIK3R1 P27986 3/20 0.36
ADRA1A P35348 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MAP3K12 Q12852 2/20 0.35
TRPV3 Q8NET8 1/20 0.34
FEN1 P39748 3/20 0.34
ALOX5AP P20292 2/20 0.34
GAK O14976 1/20 0.33
ROCK2 O75116 1/20 0.33
FFAR2 O15552 1/20 0.33

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
SCHEMBL17201976 0.86 MAP3K12 (0.34) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL17201973 0.86 PTPN11 (0.47) GSK3AGSK3BPTPN11PIK3CAMTOR
SCHEMBL17210409 0.84 PIK3CA (0.40) PTPN11PIK3CAMTORPIK3R1PIK3CD
SCHEMBL23073664 0.83 ROCK1 (0.41) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL22119525 0.81 OGA (0.44) GSK3AGSK3BPTPN11PIK3CAMTOR
SCHEMBL17202033 0.80 TRPA1 (0.42) PTPN11PIK3CAMTORPIK3R1FEN1
SCHEMBL21861322 0.76 MAP3K12 (0.42) PTPN11PIK3CAMTORMAP3K12
SCHEMBL18539061 0.75 MTOR (0.38) PTPN11PIK3CAMTORPIK3R1
SCHEMBL17202046 0.75 DYRK1A (0.41) PIK3CAMTORPIK3R1MAP3K12
SCHEMBL17201970 0.75 PIK3CA (0.35) PIK3CAMTORPIK3R1MAP3K12FEN1

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 GSK3A 2974/4885GSK3B 3474/4885PTPN11 1322/4885
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPA1, TRPV1, TRPV2 GSK3A 2974/4885GSK3B 3474/4885PTPN11 1322/4885

“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.