SCHEMBL23879073

SCHEMBL23879073

Cc1cc(Nc2nc(NC3CC4CCC(C3)N4C(=O)O)nc3cc(Br)ccc23)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.50
▸ TYK2 P29597 14/20 0.49
▸ JAK3 P52333 14/20 0.49
▸ JAK1 P23458 12/20 0.49
▸ JAK2 O60674 12/20 0.49
▸ AURKA O14965 2/20 0.46
▸ SRC P12931 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ AURKB Q96GD4 1/20 0.44
▸ PAK4 O96013 2/20 0.44
▸ PLK4 O00444 1/20 0.44

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
SCHEMBL23878768 0.90 AURKA (0.52) NTRK1TYK2JAK3JAK1JAK2
SCHEMBL23878992 0.90 AURKA (0.59) NTRK1TYK2JAK3JAK1JAK2
SCHEMBL22054573 0.89 GPR119 (0.53) NTRK1TYK2JAK3JAK1JAK2
SCHEMBL30147229 0.89 GPR119 (0.53) NTRK1TYK2JAK3JAK1JAK2
SCHEMBL23878805 0.88 AURKA (0.53) TYK2JAK3JAK1JAK2AURKA
SCHEMBL22055043 0.87 NTRK1 (0.55) NTRK1TYK2JAK3JAK1JAK2
SCHEMBL23878775 0.85 AURKA (0.51) TYK2JAK3JAK1JAK2AURKA
SCHEMBL23878848 0.85 AURKA (0.56) NTRK1TYK2JAK3JAK1JAK2
SCHEMBL23878966 0.84 TYK2 (0.50) TYK2JAK3JAK1JAK2AURKA
SCHEMBL23878737 0.84 TYK2 (0.45) TYK2JAK3JAK1JAK2AURKA

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
CN-116003441-A Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-04-25 — — CN disclosed
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
EP-3889152-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 — — EP 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 NTRK1 2151/4885TYK2 105/4885JAK3 88/4885

“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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