SCHEMBL23217008

SCHEMBL23217008

Nc1ncnc2c1[nH]c(=O)n2C1CCC2(CC1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ TLR7 Q9NYK1 1/20 0.40
▸ AMD1 P17707 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ EEF2K O00418 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ NSD3 Q9BZ95 1/20 0.34
▸ ADORA2A P29274 4/20 0.34
▸ ADORA3 P0DMS8 3/20 0.34
▸ ADORA1 P30542 3/20 0.34
▸ ADORA2B P29275 2/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33

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
SCHEMBL25269666 0.84 MTOR (0.44) TLR7AMD1
SCHEMBL23803929 0.82 ADORA3 (0.49) ALDH1A1TLR7EGFREEF2KADORA2A
SCHEMBL23216993 0.80 ALDH1A1 (0.40) ALDH1A1LMNAADORA3ADORA2BTNKS
SCHEMBL29844326 0.76 TSHR (0.38) ALDH1A1LMNATNKSTNKS2KDM4E
SCHEMBL23216978 0.76 TSHR (0.38) ALDH1A1LMNATNKSTNKS2KDM4E
SCHEMBL30563726 0.76 TLR7 (0.44) TLR7AMD1EEF2KNSD2NSD3
SCHEMBL19209529 0.76 TLR7 (0.41) ALDH1A1TLR7AMD1EGFREEF2K
SCHEMBL29614483 0.73 TLR7 (0.41) TLR7EGFRNSD2NSD3ADORA2A
SCHEMBL30558111 0.72 TLR7 (0.41) TLR7AMD1EGFRADORA2AADORA3
SCHEMBL20480733 0.71 BTK (0.42) TLR7EGFREEF2K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230058545-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-02-23 — — US disclosed
EP-4041401-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES Dana-Farber Cancer Institute, Inc. (US) 2022-08-17 — — EP disclosed
WO-2021071919-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-15 — — WO disclosed
WO-2021071919-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-15 — — 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 (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-20230058545-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES HCK, LYN, BTK ALDH1A1 4815/4885LMNA 2732/4885TLR7 240/4885

“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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