SCHEMBL23930996

SCHEMBL23930996

CC(C)n1c(C=O)nc(Cl)c1C(=O)NC1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.40
ADORA2B P29275 3/20 0.40
USP30 Q70CQ3 9/20 0.38
POLR1A O95602 1/20 0.38
PARP1 P09874 2/20 0.36
GABRA5 P31644 1/20 0.36
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL21880034 0.89 ADORA2A (0.38) ADORA2AADORA2BUSP30POLR1APARP1
SCHEMBL29902359 0.88 NR1H2 (0.42) ADORA2AADORA2BUSP30POLR1APARP1
SCHEMBL23930955 0.88 PARP1 (0.38) ADORA2AADORA2BUSP30POLR1APARP1
SCHEMBL24126467 0.87 ADORA2A (0.42) ADORA2AADORA2BUSP30POLR1APARP1
SCHEMBL23930974 0.86 ADORA2A (0.37) ADORA2AADORA2BUSP30POLR1APARP1
SCHEMBL21879879 0.85
SCHEMBL21880042 0.83 GABRA5 (0.38) ADORA2AADORA2BUSP30POLR1APARP1
SCHEMBL23930958 0.81 USP30 (0.38) ADORA2AADORA2BUSP30POLR1APARP1
SCHEMBL23931020 0.81 GABRA5 (0.36) ADORA2AADORA2BUSP30POLR1APARP1
SCHEMBL21879937 0.80 HDAC4 (0.39) ADORA2AADORA2BUSP30POLR1APARP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181536-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C TAIHO PHARMACEUTICAL CO LTD (JP) 2023-06-15 US disclosed
US-20210395234-A1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO. LTD. (JP) 2021-12-23 US disclosed
WO-2021215545-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 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-20230181536-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C KRAS, NRAS, HRAS ADORA2A 3844/4885ADORA2B 3982/4885USP30 2736/4885
US-20210395234-A1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF HDAC11, RCOR3, BICRA ADORA2A 3986/4885ADORA2B 3235/4885USP30 3681/4885

“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.