SCHEMBL29683181

SCHEMBL29683181

Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2CNCC3)ccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
MAPK14 Q16539 6/20 0.41
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
CSNK1D P48730 2/20 0.40
CSNK1E P49674 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
KCNH2 Q12809 1/20 0.40
THRB P10828 1/20 0.39
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
RIPK3 Q9Y572 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
SCHEMBL24553883 1.00 ADORA2A (0.42) ADORA2AADORA2BADORA1MAPK14MAPK13
SCHEMBL24553831 0.87 TLR9 (0.46) ADORA2AADORA2BADORA1MAPK14MAPK13
SCHEMBL29683052 0.85 ADORA2A (0.43) ADORA2AADORA2BADORA1MAPK14CSNK1D
SCHEMBL24554221 0.85 CSNK1D (0.40) ADORA2AADORA2BADORA1MAPK14CSNK1D
SCHEMBL29683210 0.85 CSNK1D (0.40) ADORA2AADORA2BADORA1MAPK14CSNK1D
SCHEMBL24554419 0.85 ADORA2A (0.43) ADORA2AADORA2BADORA1MAPK14CSNK1D
SCHEMBL26645677 0.84 ADORA2A (0.44) ADORA2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL24554415 0.83 MAPK14 (0.53) ADORA2AADORA2BADORA1MAPK14MAPK11
SCHEMBL26645537 0.83 EGFR (0.46) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL30579567 0.83 SREBF2 (0.44) MAPK14MAPK13MAPK12MAPK11CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192699-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS Gritscience Biopharmaceuticals Co., Ltd. (CN) 2023-06-22 US disclosed
EP-4126878-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS Gritscience Biopharmaceuticals Co., Ltd. (CN) 2023-02-08 EP disclosed
CN-115335057-A Method for inhibiting casein kinase 北京原基华毅生物科技有限公司 2022-11-11 CN disclosed
CN-115298183-A Compounds as casein kinase inhibitors 北京原基华毅生物科技有限公司 2022-11-04 CN disclosed
WO-2022127756-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS Gritscience Biopharmaceuticals Co., Ltd. (CN) 2022-06-23 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 (1 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-20230192699-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS CSNK2A3, CSNK1A1, CSNK1G3 ADORA2A 4784/4885ADORA2B 4661/4885ADORA1 4333/4885

“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.