SCHEMBL888686

SCHEMBL888686

CC(C)C(=O)c1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.66
ALDH1A1 P00352 3/20 0.61
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
KDM4E B2RXH2 3/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 1/20 0.57
NAPRT Q6XQN6 1/20 0.57
P4HTM Q9NXG6 1/20 0.57
KMT2A Q03164 2/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
TLR7 Q9NYK1 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GRM4 Q14833 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
SCHEMBL29915632 1.00 GSK3B (0.66) GSK3BALDH1A1CES2CES1KDM4E
SCHEMBL14549447 0.86 GSK3B (0.63) GSK3BALDH1A1CES2CES1KDM4E
SCHEMBL1595547 0.84 GSK3B (0.61) GSK3BALDH1A1CES2CES1KDM4E
SCHEMBL27040064 0.84 GSK3B (0.61) GSK3BALDH1A1CES2CES1KDM4E
SCHEMBL17275387 0.84 GSK3B (0.61) GSK3BALDH1A1CES2CES1KDM4E
SCHEMBL24808789 0.84 GSK3B (0.61) GSK3BALDH1A1CES2CES1KDM4E
SCHEMBL14346755 0.84 GSK3B (0.61) GSK3BALDH1A1CES2CES1KDM4E
SCHEMBL5312170 0.84 GSK3B (0.72) GSK3BALDH1A1CES2CES1KDM4E
SCHEMBL17275389 0.84 GSK3B (0.61) GSK3BALDH1A1CES2CES1KDM4E
SCHEMBL5160643 0.82 GSK3B (0.59) GSK3BALDH1A1CES2CES1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107936044-B It is a kind of using pyridyl ketone contracting thiocarbohydrazone as the copper complex of ligand and its synthetic method and application 广西师范大学 2019-10-01 CN claimed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2024-01-25 US disclosed
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2024-01-25 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-19 US disclosed
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-19 US disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US disclosed
US-20070088039-A1 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 WO disclosed
EP-0273647-B1 COUMARAN DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-03-11 EP disclosed
US-4857516-A Coumaran derivatives and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-15 US disclosed
EP-0273647-A1 Coumaran derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 EP disclosed
US-3948902-A Method for preparing azines PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-04-06 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 (9 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-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 GSK3B 3103/4885ALDH1A1 63/4885CES2 432/4885
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, KRAS, HRAS GSK3B 1261/4885ALDH1A1 3377/4885CES2 3144/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS GSK3B 2318/4885ALDH1A1 1238/4885CES2 778/4885
US-20070088039-A1 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function AR, FSHR, NR5A1 GSK3B 3808/4885ALDH1A1 831/4885CES2 2466/4885
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND IRAK4, IRAK1, IRAK2 GSK3B 1718/4885ALDH1A1 2898/4885CES2 4011/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 GSK3B 2810/4885ALDH1A1 1079/4885CES2 4820/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 GSK3B 663/4885ALDH1A1 2776/4885CES2 1669/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 GSK3B 1320/4885ALDH1A1 86/4885CES2 436/4885
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 GSK3B 98/4885ALDH1A1 4542/4885CES2 2803/4885

“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.