SCHEMBL2628006

SCHEMBL2628006

CC(C)(C)C1=NCc2ccccc2C=N1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.43
HTR5A P47898 3/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL14047129 0.83 TRPA1 (0.39) TRPA1HTR5A
SCHEMBL14817734 0.77 TRPA1 (0.46) TRPA1HTR5ATSHR
SCHEMBL14531930 0.73 TRPA1 (0.50) TRPA1HTR5ATSHR
SCHEMBL12188780 0.73 TRPA1 (0.42) TRPA1HTR5ATSHR
SCHEMBL12558442 0.68 TRPA1 (0.49) TRPA1
SCHEMBL242542 0.66
SCHEMBL29517242 0.66
SCHEMBL7572467 0.65 TRPA1 (0.55) TRPA1
Hydrochloric Acid SCHEMBL31416539 0.65 TRPA1 (0.43) TRPA1TSHR
SCHEMBL27462406 0.65

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008306-B2 Quinazolines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US disclosed
US-20200255407-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-13 US disclosed
US-10676460-B2 Quinazolines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-09 US disclosed
US-20190144426-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-05-16 US disclosed
US-20180030034-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-01 US disclosed
US-20180030034-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-01 US disclosed
US-9822096-B2 Quinazolines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-21 US disclosed
US-20160362396-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-15 US disclosed
US-9458164-B2 Pyrrolopyridazines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-9458114-B2 Quinazolines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20070203157-A1 Heterocyclic dihydropyrimidine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-08-30 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070099899-A1 Heterocyclic dihydropyrimidine compounds ATWAL KARNAIL S 2007-05-03 US disclosed
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
US-7157451-B2 Heterocyclic dihydropyrimidine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US 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 (14 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TRPA1 3080/4885HTR5A 3901/4885TSHR 2250/4885
US-10676460-B2 Quinazolines as potassium ion channel inhibitors KCNJ4, KCNK4, KCNQ4 TRPA1 131/4885HTR5A 1865/4885TSHR 973/4885
US-20200255407-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS KCNJ4, KCNK4, KCNQ4 TRPA1 131/4885HTR5A 1865/4885TSHR 973/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TRPA1 3080/4885HTR5A 3901/4885TSHR 2250/4885
US-20160362396-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS KCNJ4, KCNK4, KCNQ4 TRPA1 131/4885HTR5A 1865/4885TSHR 973/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TRPA1 3080/4885HTR5A 3901/4885TSHR 2250/4885
US-20180030034-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS KCNJ4, KCNK4, KCNQ4 TRPA1 131/4885HTR5A 1865/4885TSHR 973/4885
US-20070082909-A1 Acyclic Ikur inhibitors KCNH2, KCNJ2, KCNH3 TRPA1 86/4885HTR5A 2396/4885TSHR 566/4885
US-20070093470-A1 LXR modulators NR1H2, NR1H3, RXRB TRPA1 3026/4885HTR5A 2584/4885TSHR 169/4885
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators NR1H2, NR1H3, NR1I2 TRPA1 2791/4885HTR5A 1432/4885TSHR 121/4885
US-20070203157-A1 Heterocyclic dihydropyrimidine compounds KCNQ5, KCNH2, KCNQ2 TRPA1 81/4885HTR5A 821/4885TSHR 1138/4885
US-11008306-B2 Quinazolines as potassium ion channel inhibitors KCNJ4, KCNK4, KCNQ4 TRPA1 131/4885HTR5A 1865/4885TSHR 973/4885
US-20070099899-A1 Heterocyclic dihydropyrimidine compounds KCNJ2, KCNQ5, KCNQ2 TRPA1 110/4885HTR5A 999/4885TSHR 3471/4885
US-20190144426-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS KCNJ4, KCNK4, KCNQ4 TRPA1 131/4885HTR5A 1865/4885TSHR 973/4885

“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.