SCHEMBL221044

SCHEMBL221044

CCn1c(Cl)cc(=O)n(C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 1/20 0.41
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KAT2B Q92831 1/20 0.37
PDE4A P27815 2/20 0.37
ADORA2A P29274 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA2B P29275 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3827955 0.86 ALDH1A1 (0.47) ALDH1A1CYP3A4MAPK1GAAL3MBTL1
SCHEMBL218257 0.84 ALDH1A1 (0.49) ALDH1A1CYP3A4L3MBTL1CYP1A2MEN1
SCHEMBL219049 0.82 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPK1GAAL3MBTL1
SCHEMBL11614429 0.80 KAT2B (0.45) ALDH1A1L3MBTL1CYP1A2KAT2BADORA2B
SCHEMBL27384983 0.80 ALDH1A1 (0.42) ALDH1A1CYP3A4MAPK1GAAL3MBTL1
SCHEMBL4796757 0.79 GRM2 (0.44) ALDH1A1CYP3A4GAAMEN1KMT2A
SCHEMBL1653731 0.79 ALDH1A1 (0.65) ALDH1A1CYP3A4MAPK1GAAL3MBTL1
SCHEMBL11182921 0.78 GAA (0.62) ALDH1A1CYP3A4GAACYP1A2KMT2A
SCHEMBL3875250 0.78 ALDH1A1 (0.59) ALDH1A1CYP3A4MAPK1GAAL3MBTL1
SCHEMBL4803221 0.77 ALDH1A1 (0.43) ALDH1A1CYP3A4MEN1KMT2APDE4A

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
CN-114591336-B 5-hydroxy-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2023-07-25 CN disclosed
CN-114456166-B 5-substituted amino-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2023-06-16 CN disclosed
CN-114591336-A 5-hydroxy-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2022-06-07 CN disclosed
CN-114456166-A 5-substituted amino-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2022-05-10 CN disclosed
EP-2091941-B1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-23 EP disclosed
EP-2091941-B1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-23 EP disclosed
US-8088783-B2 MAPK/ERK kinase inhibitors DONG QING (US) 2012-01-03 US disclosed
US-8088783-B2 MAPK/ERK kinase inhibitors DONG QING (US) 2012-01-03 US disclosed
US-8088783-B2 MAPK/ERK kinase inhibitors DONG QING (US) 2012-01-03 US disclosed
US-20110190261-A1 MAPK/ERK Kinase Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
US-7696218-B2 Substituted 1,3-dialkyl-2,4-dioxo-6-(arylamino)-1,2,3,4-tetrahydropyrimidine-5-hydroxamic acid inhibitors of MAPK/ERK kinase TAKEDA SAN DIEGO, INC. (US) 2010-04-13 US disclosed
US-7696218-B2 Substituted 1,3-dialkyl-2,4-dioxo-6-(arylamino)-1,2,3,4-tetrahydropyrimidine-5-hydroxamic acid inhibitors of MAPK/ERK kinase TAKEDA SAN DIEGO, INC. (US) 2010-04-13 US disclosed
EP-2091941-A2 MAPK/ERK KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2009-08-26 EP disclosed
WO-2008140553-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
WO-2008140553-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-29 US disclosed
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-29 US disclosed
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-29 US disclosed
US-7361660-B2 Chemical compounds ASTRAZENECA AB (SE) 2008-04-22 US disclosed
US-20040171623-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-09-02 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 (3 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-20110190261-A1 MAPK/ERK Kinase Inhibitors MAPK1, MAPK4, MAPK6 ALDH1A1 1803/4885CYP3A4 2213/4885MAPK1 1/4885
US-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 ALDH1A1 401/4885CYP3A4 60/4885MAPK1 2613/4885
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 ALDH1A1 2921/4885CYP3A4 1224/4885MAPK1 1/4885

“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.