SCHEMBL30255661

SCHEMBL30255661

CC(=O)N1C2CCC1CC(Nc1nc(Nc3cc(C)[nH]n3)c3ccccc3n1)C2

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.58
▸ SRC P12931 1/20 0.58
▸ GSK3B P49841 1/20 0.58
▸ TYK2 P29597 11/20 0.57
▸ JAK3 P52333 11/20 0.57
▸ JAK2 O60674 10/20 0.57
▸ JAK1 P23458 10/20 0.57
▸ AURKB Q96GD4 1/20 0.52
▸ NTRK1 P04629 5/20 0.52

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
SCHEMBL23878992 0.94 AURKA (0.59) AURKASRCGSK3BTYK2JAK3
SCHEMBL23878859 0.90 JAK1 (0.69) AURKASRCGSK3BTYK2JAK3
SCHEMBL22054014 0.90 JAK1 (0.69) AURKASRCGSK3BTYK2JAK3
SCHEMBL22054016 0.88 JAK2 (0.53) AURKASRCGSK3BTYK2JAK3
SCHEMBL22054021 0.88 JAK2 (0.66) AURKASRCGSK3BTYK2JAK3
SCHEMBL22054065 0.88 AURKA (0.53) AURKASRCGSK3BTYK2JAK3
SCHEMBL23889701 0.88 JAK2 (0.66) AURKASRCGSK3BTYK2JAK3
SCHEMBL23878801 0.88 JAK2 (0.53) AURKASRCGSK3BTYK2JAK3
SCHEMBL23879140 0.88 JAK2 (0.66) AURKASRCGSK3BTYK2JAK3
SCHEMBL30147209 0.88 AURKA (0.53) AURKASRCGSK3BTYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 — — 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 (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-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB AURKA 1417/4885SRC 301/4885GSK3B 32/4885

“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.

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