SCHEMBL744158

SCHEMBL744158

Brc1cncc(C2CO2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CHRNB2 P17787 8/20 0.33
CHRNA4 P43681 8/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CYP2A6 P11509 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMYD3 Q9H7B4 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
SCHEMBL30858980 0.86 POLB (0.30) POLBHCAR2
SCHEMBL748571 0.84 CHRNB2 (0.34) POLBHCAR2CHRNB2CHRNA4CHRNB4
SCHEMBL15463774 0.78 CYP11B2 (0.36) POLBHCAR2CHRNB2CHRNA4CHRNB4
SCHEMBL1356433 0.78 CYP11B1 (0.43) POLBHCAR2CHRNB2CHRNA4CHRNB4
SCHEMBL30132809 0.78 CYP11B1 (0.43) POLBHCAR2CHRNB2CHRNA4CHRNB4
SCHEMBL27996891 0.77 DRD2 (0.48)
SCHEMBL12832868 0.76 POLB (0.31) POLBHCAR2CHRNB2CHRNA4
SCHEMBL16007499 0.76 HCRTR1 (0.32) CHRNB2CHRNA4
SCHEMBL30324785 0.75 CYP11B1 (0.44) TSHRHCAR2CHRNB2CHRNA4CHRNB4
SCHEMBL30324613 0.75 CYP11B1 (0.44) TSHRHCAR2CHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023036217-A1 ACRYLAMIDE COMPOUND AND USE THEREOF 南京明德新药研发有限公司 2023-03-16 WO disclosed
EP-2970296-B1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
EP-2970296-B1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
US-9242966-B2 Phthalazines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-9242966-B2 Phthalazines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-9242966-B2 Phthalazines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
EP-2970179-A1 PHTHALAZINES AS POTASSIUM ION CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
EP-2970296-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
US-9050345-B2 Pyrrolotriazines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-09 US disclosed
US-9050345-B2 Pyrrolotriazines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-09 US disclosed
US-20140256719-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-09-11 US disclosed
US-20140256719-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-09-11 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
EP-2430011-A1 5-PYRIDIN-3-YL-1,3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 Novartis AG (CH) 2012-03-21 EP disclosed
WO-2010130794-A1 5-PYRIDIN-3-YL-1,3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2010-11-18 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-20140256719-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS KCNJ4, KCNJ2, KCNA4 TSHR 275/4885POLB 3412/4885HCAR2 1689/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 TSHR 2407/4885POLB 2259/4885HCAR2 1101/4885

“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.