SCHEMBL2185157

SCHEMBL2185157

CC(=O)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.74
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58
MAPT P10636 3/20 0.56
EPHX2 P34913 4/20 0.53
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP2J2 P51589 1/20 0.51
SCN9A Q15858 2/20 0.48
TRPV1 Q8NER1 1/20 0.46
DGAT1 O75907 1/20 0.46

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
SCHEMBL2717111 0.89 L3MBTL1 (0.59) L3MBTL1POLBMAPK1MAPTEPHX2
SCHEMBL2713694 0.88 L3MBTL1 (0.57) L3MBTL1POLBMAPK1MAPTEPHX2
SCHEMBL2715385 0.87 L3MBTL1 (0.57) L3MBTL1POLBMAPK1MAPTEPHX2
SCHEMBL458559 0.85 L3MBTL1 (1.00) L3MBTL1POLBMAPK1MAPTEPHX2
SCHEMBL29488316 0.85 L3MBTL1 (1.00) L3MBTL1POLBMAPK1MAPTEPHX2
SCHEMBL2713868 0.85 L3MBTL1 (0.55) L3MBTL1POLBMAPK1MAPTEPHX2
SCHEMBL13875896 0.84 L3MBTL1 (0.70) L3MBTL1POLBMAPK1MAPTEPHX2
SCHEMBL20474664 0.84 L3MBTL1 (0.70) L3MBTL1POLBMAPK1MAPTEPHX2
SCHEMBL2715509 0.84 L3MBTL1 (0.70) L3MBTL1POLBMAPK1MAPTEPHX2
SCHEMBL2713919 0.84 EPHX2 (0.60) L3MBTL1MAPTEPHX2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020215094-A1 SUBSTITUTED 2-AMINO-PYRAZOLYL-[1,2,4]TRIAZOLO[1,5A] PYRIDINE DERIVATIVES AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2020-10-22 WO disclosed
US-20180250277-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2018-09-06 US disclosed
EP-2729447-B1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H LUNDBECK AS (DK) 2018-05-30 EP disclosed
US-9889122-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2018-02-13 US disclosed
US-9889122-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2018-02-13 US disclosed
US-9889122-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2018-02-13 US disclosed
EP-2841435-B1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-09-06 EP disclosed
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor H. LUNDBECK A/S (DK) 2017-03-23 US disclosed
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor H. LUNDBECK A/S (DK) 2017-03-23 US disclosed
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor H. LUNDBECK A/S (DK) 2017-03-23 US disclosed
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-10 US disclosed
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-10 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
EP-1802632-B1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2011-07-13 EP disclosed
EP-1802632-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY Dow AgroSciences LLC (US) 2007-07-04 EP disclosed
WO-2006047397-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2006-05-04 WO disclosed
US-20060089370-A1 Thieno-pyrimidine compounds having fungicidal activity BREWSTER WILLIAM K 2006-04-27 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 (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-20180250277-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR CHRNG, CHRNA7, CHRNA2 L3MBTL1 3420/4885POLB 3799/4885MAPK1 2893/4885
US-20060089370-A1 Thieno-pyrimidine compounds having fungicidal activity TYMP, DPM1, TYMS L3MBTL1 1757/4885POLB 1504/4885MAPK1 3595/4885
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 L3MBTL1 3488/4885POLB 3862/4885MAPK1 2633/4885
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor CHRNG, CHRNA7, CHRNA1 L3MBTL1 3451/4885POLB 3833/4885MAPK1 2356/4885

“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.