SCHEMBL24909154

SCHEMBL24909154

c1nc(N2CC3CCCC(C2)N3)c2cc[nH]c2n1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.62
▸ DOT1L Q8TEK3 2/20 0.62
▸ AKT2 P31751 3/20 0.60
▸ GSK3B P49841 2/20 0.60
▸ KIT P10721 1/20 0.60
▸ LCK P06239 1/20 0.59
▸ JAK2 O60674 3/20 0.58
▸ HTR2C P28335 1/20 0.56
▸ JAK1 P23458 2/20 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
SCHEMBL1050141 0.94 AKT2 (0.63) JAK3DOT1LAKT2GSK3BKIT
SCHEMBL31050016 0.94 AKT2 (0.63) JAK3DOT1LAKT2GSK3BKIT
SCHEMBL31050017 0.85 JAK3 (0.60) JAK3DOT1LAKT2GSK3BKIT
Trifluoroacetic Acid SCHEMBL30023792 0.83 JAK3 (0.52) JAK3DOT1LAKT2GSK3BKIT
SCHEMBL1818852 0.77 JAK3 (1.00) JAK3DOT1LAKT2GSK3BKIT
SCHEMBL31550436 0.77 JAK3 (0.93) JAK3DOT1LAKT2GSK3BKIT
SCHEMBL3952874 0.77 JAK3 (0.75) JAK3DOT1LAKT2GSK3BKIT
SCHEMBL1531444 0.77 DOT1L (1.00) JAK3DOT1LAKT2GSK3BKIT
SCHEMBL1531600 0.77 DOT1L (1.00) JAK3DOT1LAKT2GSK3BKIT
SCHEMBL1531446 0.77 DOT1L (1.00) JAK3DOT1LAKT2GSK3BKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530260-A Fused bicyclic derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2024-08-23 — — CN disclosed
CN-118530261-A Fused bicyclic derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2024-08-23 — — CN disclosed
US-20230148417-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 — — US disclosed
US-20230148417-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 — — US disclosed
US-20230148417-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 — — US disclosed
EP-4122922-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-01-25 — — EP disclosed
EP-4122922-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-01-25 — — EP disclosed
CN-115397815-A Condensed bicyclic derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-11-25 — — 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-20230148417-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF WEE2, AKT1S1, WEE1 JAK3 509/4885DOT1L 3023/4885AKT2 4/4885

“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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