SCHEMBL1050141

SCHEMBL1050141

c1nc(N2CC3CCC(C2)N3)c2cc[nH]c2n1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 3/20 0.63
▸ GSK3B P49841 2/20 0.63
▸ KIT P10721 1/20 0.63
▸ JAK3 P52333 11/20 0.63
▸ LCK P06239 1/20 0.62
▸ DOT1L Q8TEK3 2/20 0.61
▸ HTR2C P28335 1/20 0.58
▸ JAK2 O60674 4/20 0.54
▸ JAK1 P23458 2/20 0.51

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
SCHEMBL31050016 1.00 AKT2 (0.63) AKT2GSK3BKITJAK3LCK
SCHEMBL24909154 0.94 JAK3 (0.62) AKT2GSK3BKITJAK3LCK
SCHEMBL31050017 0.87 JAK3 (0.60) AKT2GSK3BKITJAK3LCK
SCHEMBL3952874 0.79 JAK3 (0.75) AKT2GSK3BKITJAK3LCK
SCHEMBL10074309 0.78 DOT1L (0.85) AKT2GSK3BKITJAK3LCK
SCHEMBL15178732 0.78 DOT1L (0.85) AKT2GSK3BKITJAK3LCK
SCHEMBL3953429 0.78 JAK3 (0.65) AKT2GSK3BKITJAK3LCK
SCHEMBL31732396 0.78 JAK3 (0.63) AKT2GSK3BKITJAK3LCK
SCHEMBL1003408 0.78 AKT2 (1.00) AKT2GSK3BKITJAK3LCK
SCHEMBL2022699 0.78 AKT2 (0.78) AKT2GSK3BKITJAK3LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360157-A1 TYK2 INHIBITORS BIOGEN MA INC. 2024-10-31 — — 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
US-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 — — US disclosed
US-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 — — US disclosed
EP-2451813-B1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA AS (DK) 2014-10-01 — — EP disclosed
EP-2451813-B1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA AS (DK) 2014-10-01 — — EP disclosed
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 — — US disclosed
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 — — US disclosed
EP-2451813-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS Leo Pharma A/S (DK) 2012-05-16 — — EP disclosed
WO-2011003418-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2011-01-13 — — WO disclosed
WO-2011003418-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2011-01-13 — — WO 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 (3 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-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS JAK1, JAK2, JAK3 AKT2 703/4885GSK3B 842/4885KIT 327/4885
US-20230148417-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF WEE2, AKT1S1, WEE1 AKT2 4/4885GSK3B 32/4885KIT 81/4885
US-20240360157-A1 TYK2 INHIBITORS TYK2, JAK2, ABL1 AKT2 564/4885GSK3B 118/4885KIT 537/4885

“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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