SCHEMBL17609652

SCHEMBL17609652

Cc1ncc(-c2nccc(N)n2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.43
PIK3CD O00329 2/20 0.40
TRPA1 O75762 3/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
MTOR P42345 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
PIK3CA P42336 3/20 0.36
S1PR3 Q99500 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
BACE1 P56817 1/20 0.35
MPL P40238 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
PIK3CB P42338 1/20 0.33
PIK3CG P48736 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
SCHEMBL17609513 0.81 IRAK4 (0.39) S1PR1PIK3CDTRPA1IRAK4KDM4E
SCHEMBL28151884 0.80 PIK3CD (0.34) S1PR1PIK3CDTRPA1MTORALDH1A1
SCHEMBL17610099 0.77 ASIC3 (0.44) PIK3CDTRPA1IRAK4KDM4EALDH1A1
SCHEMBL28447697 0.75 NOS3 (0.38) S1PR1PIK3CDIRAK4NOS3NOS2
SCHEMBL17609646 0.72 CYP11B2 (0.42) PIK3CDTRPA1IRAK4PIK3CAALOX5AP
SCHEMBL19066984 0.72 NOS3 (0.50) S1PR1KDM4EKMT2ANOS3NOS2
SCHEMBL17609534 0.71 TRPA1 (0.39) S1PR1PIK3CDTRPA1PIK3CAMPL
SCHEMBL13662709 0.70 IRAK4 (0.47) PIK3CDIRAK4MTORKDM4EALDH1A1
SCHEMBL3794168 0.70 TRPV3 (0.48) S1PR1NOS3NOS2S1PR3
SCHEMBL27942764 0.70 MEN1 (0.45) IRAK4KDM4EALDH1A1KMT2ANOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3193880-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2020-03-25 EP disclosed
EP-3193880-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2020-03-25 EP disclosed
US-10519158-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-12-31 US disclosed
US-10519158-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-12-31 US disclosed
US-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2019-10-31 US disclosed
US-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2019-10-31 US disclosed
US-10221177-B2 Inhibiting the transient receptor potential A1 ion channel HYDRA BIOSCIENCES, INC. (US) 2019-03-05 US disclosed
US-10221177-B2 Inhibiting the transient receptor potential A1 ion channel HYDRA BIOSCIENCES, INC. (US) 2019-03-05 US disclosed
US-20170275285-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2017-09-28 US disclosed
US-20170275285-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2017-09-28 US disclosed
US-20170275285-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2017-09-28 US disclosed
EP-3193880-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL Hydra Biosciences, Inc. (US) 2017-07-26 EP disclosed
WO-2016044792-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2016-03-24 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 (4 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-10519158-B2 Inhibiting the transient receptor potential A1 ion channel TRPV1, TRPA1, TRPV2 S1PR1 552/4885PIK3CD 3461/4885TRPA1 2/4885
US-10221177-B2 Inhibiting the transient receptor potential A1 ion channel TRPV1, TRPA1, TRPV2 S1PR1 552/4885PIK3CD 3461/4885TRPA1 2/4885
US-20170275285-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPV1, TRPA1, TRPV2 S1PR1 552/4885PIK3CD 3461/4885TRPA1 2/4885
US-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPV1, TRPA1, TRPV2 S1PR1 552/4885PIK3CD 3461/4885TRPA1 2/4885

“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.