SCHEMBL6370434

SCHEMBL6370434

COC(=O)c1[nH]cc(-c2ccncc2)c1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.47
MAPK14 Q16539 11/20 0.46
GCGR P47871 3/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
ALOX5 P09917 1/20 0.46
CCNC P24863 4/20 0.46
CDK8 P49336 4/20 0.46
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
NEK1 Q96PY6 1/20 0.42
CYP46A1 Q9Y6A2 1/20 0.42

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
SCHEMBL6377962 1.00 HTR3A (0.47) HTR3AMAPK14GCGRMAPK13MAPK12
SCHEMBL6371713 0.81 MAPK14 (0.51) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL27627755 0.81 MAPK14 (0.45) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL27627754 0.81 MAPK14 (0.45) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5769402 0.79 CA12 (0.44)
SCHEMBL31189709 0.78 CCNC (0.68) CCNCCDK8NEK1CYP46A1
SCHEMBL19064199 0.78 SLC6A4 (0.51) GCGRSLC6A4SLC6A3
SCHEMBL19083288 0.78 SLC6A3 (0.44) HTR3AMAPK14GCGRSLC6A4SLC6A3
SCHEMBL5732191 0.77 PRKCZ (0.49) MAPK14GCGR
SCHEMBL31555567 0.77 IMPDH2 (0.57) MAPK14GCGRCCNCCDK8

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 7 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
US-20230192699-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS Gritscience Biopharmaceuticals Co., Ltd. (CN) 2023-06-22 US disclosed
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
US-20050043331-A1 Substituted 3-(2,5-disubstituted)pyridyl-4-aryl pyrroles for treating inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-24 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 (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-20050043331-A1 Substituted 3-(2,5-disubstituted)pyridyl-4-aryl pyrroles for treating inflammatory diseases TNF, TSLP, IRAK1 HTR3A 2032/4885MAPK14 240/4885GCGR 2600/4885
US-20230192699-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS CSNK2A3, CSNK1A1, CSNK1G3 HTR3A 4494/4885MAPK14 76/4885GCGR 2709/4885

“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.