SCHEMBL363339

SCHEMBL363339

CCOC(=O)C(C#N)=Cc1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
MAPT P10636 8/20 0.71
KDM4E B2RXH2 3/20 0.71
PTP4A1 Q93096 1/20 0.67
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
MAPK1 P28482 2/20 0.66
LMNA P02545 2/20 0.66
S1PR4 O95977 1/20 0.66
S1PR1 P21453 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
TP53 P04637 1/20 0.64
PKM P14618 1/20 0.64
HTT P42858 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
NPC1 O15118 1/20 0.63
CASP3 P42574 1/20 0.63
RAB9A P51151 1/20 0.63
SENP8 Q96LD8 1/20 0.63

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
SCHEMBL363338 1.00 ALDH1A1 (0.71) ALDH1A1MAPTKDM4EPTP4A1KMT2A
SCHEMBL4317761 0.92 ALDH1A1 (0.81) ALDH1A1MAPTKDM4EPTP4A1KMT2A
SCHEMBL2139678 0.92 ALDH1A1 (0.81) ALDH1A1MAPTKDM4EPTP4A1KMT2A
SCHEMBL2139676 0.92 ALDH1A1 (0.81) ALDH1A1MAPTKDM4EPTP4A1KMT2A
SCHEMBL21457258 0.89 MAPT (0.56) ALDH1A1MAPTKDM4EPTP4A1KMT2A
SCHEMBL21457262 0.89 MAPT (0.56) ALDH1A1MAPTKDM4EPTP4A1KMT2A
SCHEMBL8998890 0.88 ALDH1A1 (0.74) ALDH1A1MAPTKDM4EPTP4A1KMT2A
SCHEMBL20278911 0.88 ALDH1A1 (0.74) ALDH1A1MAPTKDM4EPTP4A1KMT2A
SCHEMBL8998886 0.88 ALDH1A1 (0.74) ALDH1A1MAPTKDM4EPTP4A1KMT2A
SCHEMBL10346450 0.87 ALDH1A1 (0.72) ALDH1A1MAPTKDM4EPTP4A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 EP disclosed
US-11225540-B2 Copolymer and optical film using same TOSOH CORPORATION (JP) 2022-01-18 US disclosed
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed
CN-113416191-A Method for synthesizing tricyclic framework 2-pyridone/2-pyridine imine compound 西安交通大学 2021-09-21 CN disclosed
US-20200095358-A1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORPORATION (JP) 2020-03-26 US disclosed
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 EP disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
EP-1933832-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS Astex Therapeutics Limited (GB) 2008-06-25 EP disclosed
EP-1904451-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2008-04-02 EP disclosed
EP-1902032-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2008-03-26 EP disclosed
WO-2007125320-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
WO-2006136830-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
WO-2006136823-A1 HETEROCYCLIC CONTAINING AMINES AS KINASE B INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
WO-2006136821-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
WO-2006136837-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
EP-1706385-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS Astex Therapeutics Limited (GB) 2006-10-04 EP disclosed
WO-2005061463-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-07-07 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-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 ALDH1A1 4114/4885MAPT 4567/4885KDM4E 2466/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 ALDH1A1 4114/4885MAPT 4567/4885KDM4E 2466/4885

“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.