SCHEMBL21792674

SCHEMBL21792674

C=CC(=O)N1CCC[C@H](Nc2cc(CN3CCOCC3)cc(Nc3ncc(C(F)(F)F)s3)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.49
HCK P08631 3/20 0.49
ITK Q08881 2/20 0.45
EGFR P00533 2/20 0.45
JAK3 P52333 9/20 0.45
BMX P51813 1/20 0.42

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
SCHEMBL23608044 1.00 BTK (0.49) BTKHCKITKEGFRJAK3
SCHEMBL23608063 0.92 BTK (0.41) BTKHCKITKEGFRJAK3
SCHEMBL23608061 0.92 BTK (0.41) BTKHCKITKEGFRJAK3
SCHEMBL21777159 0.89 BTK (0.54) BTKHCKITKEGFRJAK3
SCHEMBL21777160 0.89 BTK (0.54) BTKHCKITKEGFRJAK3
SCHEMBL30167089 0.89 BTK (0.54) BTKHCKITKEGFRJAK3
SCHEMBL23608029 0.89 BTK (0.54) BTKHCKITKEGFRJAK3
Hydrochloric Acid SCHEMBL23608055 0.88 BTK (0.54) BTKHCKITKEGFRJAK3
Hydrochloric Acid SCHEMBL23607999 0.88 BTK (0.54) BTKHCKITKEGFRJAK3
SCHEMBL21792590 0.88 BTK (0.41) BTKHCKITKEGFR

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-12227498-B2 Heterocyclic amine derivative and pharmaceutical composition comprising same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2025-02-18 US claimed
CN-112638910-B New heterocyclic amine derivatives and pharmaceutical compositions containing the same 株式会社大熊制药 2024-06-11 CN claimed
US-20220064155-A1 NOVEL HETEROCYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2022-03-03 US claimed
EP-3845530-A1 NOVEL HETEROCYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Daewoong Pharmaceutical Co., Ltd. (KR) 2021-07-07 EP claimed
CN-112638910-A Novel heterocyclic amine derivatives and pharmaceutical compositions comprising the same 株式会社大熊制药 2021-04-09 CN claimed
EP-4643954-A2 NOVEL HETEROCYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Daewoong Pharmaceutical Co., Ltd. (KR) 2025-11-05 EP disclosed
US-12227498-B2 Heterocyclic amine derivative and pharmaceutical composition comprising same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2025-02-18 US disclosed
CN-112638910-B New heterocyclic amine derivatives and pharmaceutical compositions containing the same 株式会社大熊制药 2024-06-11 CN disclosed
US-20220064155-A1 NOVEL HETEROCYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2022-03-03 US disclosed
EP-3845530-A1 NOVEL HETEROCYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Daewoong Pharmaceutical Co., Ltd. (KR) 2021-07-07 EP disclosed
CN-112638910-A Novel heterocyclic amine derivatives and pharmaceutical compositions comprising the same 株式会社大熊制药 2021-04-09 CN disclosed
WO-2020045941-A1 NOVEL HETEROCYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 대웅제약 2020-03-05 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 (2 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-20220064155-A1 NOVEL HETEROCYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME H1-5, H1-2, SSB BTK 133/4885HCK 3523/4885ITK 2479/4885
US-12227498-B2 Heterocyclic amine derivative and pharmaceutical composition comprising same H1-5, SSB, H1-2 BTK 144/4885HCK 3206/4885ITK 2122/4885

“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.