SCHEMBL25225960

SCHEMBL25225960

C[C@@H]1CNC(=O)c2cc(-c3ccc(F)cc3)nn21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 6/20 0.55
CDC7 O00311 2/20 0.40
RAD51 Q06609 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
PLAT P00750 1/20 0.37
PIM1 P11309 2/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
PTGS2 P35354 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
GSK3B P49841 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ALK Q9UM73 1/20 0.35

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
SCHEMBL17334324 1.00 PIK3C3 (0.55) PIK3C3CDC7RAD51MAPKAPK2PLAT
SCHEMBL9941440 0.76
SCHEMBL22622669 0.74 PIK3C3 (0.46) PIK3C3
SCHEMBL30623024 0.73 MAPKAPK2 (0.42) CDC7MAPKAPK2PIM1GSK3B
SCHEMBL26645641 0.73 MAPKAPK2 (0.42) CDC7MAPKAPK2PIM1GSK3B
SCHEMBL29545074 0.73 PIK3C3 (0.46) PIK3C3HRH3
SCHEMBL17334306 0.72 CDC7 (0.74) CDC7RAD51MAPKAPK2PLATPIM1
SCHEMBL26645499 0.72 MAPKAPK2 (0.41) CDC7MAPKAPK2PIM1GSK3B
SCHEMBL30623001 0.72 MAPKAPK2 (0.41) CDC7MAPKAPK2PIM1GSK3B
SCHEMBL25273875 0.72 MAPK14 (0.34) PIK3C3PTGS2

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 4 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

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 PIK3C3 1234/4885CDC7 441/4885RAD51 4394/4885

“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.