SCHEMBL23878775

SCHEMBL23878775

COc1ccc2c(Nc3cc(C)[nH]n3)nc(NC3CC4CCCC(C3)N4C(=O)O)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.51
▸ AURKB Q96GD4 2/20 0.51
▸ TYK2 P29597 15/20 0.51
▸ JAK3 P52333 15/20 0.51
▸ JAK1 P23458 13/20 0.51
▸ JAK2 O60674 10/20 0.51
▸ P2RX3 P56373 1/20 0.44
▸ P2RX2 Q9UBL9 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ GSK3B P49841 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
SCHEMBL23878805 0.97 AURKA (0.53) AURKAAURKBTYK2JAK3JAK1
SCHEMBL30147261 0.90 GPR119 (0.52) AURKAAURKBTYK2JAK3JAK1
SCHEMBL22055034 0.87 GPR119 (0.55) AURKAAURKBTYK2JAK3JAK1
SCHEMBL30147236 0.87 GPR119 (0.55) AURKAAURKBTYK2JAK3JAK1
SCHEMBL22054571 0.86 AURKA (0.56) AURKAAURKBTYK2JAK3JAK1
SCHEMBL23879073 0.85 NTRK1 (0.50) AURKAAURKBTYK2JAK3JAK1
SCHEMBL23878768 0.85 AURKA (0.52) AURKATYK2JAK3JAK1JAK2
SCHEMBL23878992 0.85 AURKA (0.59) AURKAAURKBTYK2JAK3JAK1
SCHEMBL23879004 0.81 TYK2 (0.47) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL22054208 0.81 JAK3 (0.64) AURKAAURKBTYK2JAK3JAK1

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 2 patents. 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
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 AURKA 1417/4885AURKB 584/4885TYK2 105/4885

“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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