SCHEMBL17609690

SCHEMBL17609690

Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1cccc(Br)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
TRPA1 O75762 6/20 0.47
CYP1A2 P05177 1/20 0.47
TP53 P04637 2/20 0.46
RXFP1 Q9HBX9 4/20 0.45
PORCN Q9H237 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP3A4 P08684 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL17619613 0.83 SMN1; SMN2 (0.44) MAPK1KDM4ELMNAPOLBTRPA1
SCHEMBL17619939 0.80 MEN1 (0.47) MAPK1KDM4ELMNAPOLBTP53
SCHEMBL17609632 0.80 TRPA1 (0.72) TRPA1TP53RXFP1
SCHEMBL10130856 0.78 TRPA1 (0.54) MAPK1KDM4ELMNAPOLBTRPA1
SCHEMBL17609719 0.78 TRPA1 (0.66) TRPA1
SCHEMBL15384326 0.78 CYP1A2 (0.49) MAPK1KDM4ELMNAPOLBCYP1A2
SCHEMBL1065288 0.78 TRPA1 (0.71) MAPK1KDM4ELMNAPOLBTRPA1
SCHEMBL21861546 0.77 KMT2A (0.67) MAPK1KDM4ELMNAPOLBTRPA1
SCHEMBL17609885 0.77 TRPA1 (0.73) TRPA1
SCHEMBL15384477 0.77 CYP1A2 (0.50) MAPK1KDM4ELMNAPOLBTRPA1

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 12 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-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
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 MAPK1 1383/4885KDM4E 4811/4885LMNA 2566/4885
US-10221177-B2 Inhibiting the transient receptor potential A1 ion channel TRPV1, TRPA1, TRPV2 MAPK1 1383/4885KDM4E 4811/4885LMNA 2566/4885
US-20170275285-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPV1, TRPA1, TRPV2 MAPK1 1383/4885KDM4E 4811/4885LMNA 2566/4885
US-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPV1, TRPA1, TRPV2 MAPK1 1383/4885KDM4E 4811/4885LMNA 2566/4885

“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.