SCHEMBL5629234

SCHEMBL5629234

CC(=O)Nc1ccc(Cl)nc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 16/20 0.60
KCNQ2 O43526 16/20 0.60
KCNE1 P15382 11/20 0.60
KCNQ1 P51787 11/20 0.60
BACE1 P56817 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL30568974 0.84 KCNQ3 (0.64) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL6361424 0.84 KCNQ3 (0.64) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL2436172 0.82 KCNQ3 (0.67) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL203109 0.82 KCNQ3 (0.54) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL13076353 0.81 KCNQ3 (0.51) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL16785423 0.81 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5629229 0.81 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL9764596 0.80 ALDH1A1 (0.57) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL12182424 0.80 ALDH1A1 (0.57) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL30317019 0.80 L3MBTL1 (0.60) KCNQ3KCNQ2KCNE1KCNQ1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 US disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 US disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 EP disclosed
EP-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-7276517-B2 Heterocyclic amide derivatives as inhibitors of glycogen phosphorylase ASTRAZENECA AB (SE) 2007-10-02 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-7169927-B2 Indole-amide derivatives and their use as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2007-01-30 US disclosed
US-7129249-B2 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2006-10-31 US disclosed
US-20050131016-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-06-16 US disclosed
US-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2005-06-16 US disclosed
EP-1485371-A2 INDOLE AMIDE DERIVATIVES AND THEIR USE AS GLYCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2004-12-15 EP disclosed
WO-2003074513-A2 INDOLE AMIDE DERIVATIVES AND THEIR USE AS GLYCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2003-09-12 WO disclosed
EP-0610032-A1 Acetanilide derivatives ZENECA LIMITED (GB) 1994-08-10 EP 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 (8 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-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans PYGL, PYGM, GYS1 KCNQ3 3884/4885KCNQ2 4221/4885KCNE1 4098/4885
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP KCNQ3 4311/4885KCNQ2 4109/4885KCNE1 4131/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT KCNQ3 4187/4885KCNQ2 4093/4885KCNE1 4534/4885
US-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase PYGL, GYS2, GYS1 KCNQ3 4082/4885KCNQ2 4182/4885KCNE1 2649/4885
US-20050131016-A1 Chemical compounds PYGL, GYS1, CA9 KCNQ3 3844/4885KCNQ2 3917/4885KCNE1 2212/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 KCNQ3 3369/4885KCNQ2 3323/4885KCNE1 3786/4885
US-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA KCNQ3 1156/4885KCNQ2 622/4885KCNE1 2544/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT KCNQ3 4187/4885KCNQ2 4093/4885KCNE1 4534/4885

“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.