SCHEMBL21174313

SCHEMBL21174313

Cn1cc2cccc(CNC(=O)c3ncnc4nc(C5CCCC5)[nH]c34)c2n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 13/20 0.36
▸ BTK Q06187 3/20 0.35
▸ PBK Q96KB5 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2B P29275 1/20 0.33
▸ ADORA2A P29274 1/20 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
SCHEMBL21174476 0.87 BTK (0.36) ADORA1BTKPBKALDH1A1ADORA3
SCHEMBL21174215 0.84 ADORA1 (0.38) ADORA1BTKPBKADORA3ADORA2B
SCHEMBL21174066 0.81 ADORA1 (0.36) ADORA1BTKPBKADORA3ADORA2B
SCHEMBL21174272 0.80 NPC1 (0.44) ALDH1A1
SCHEMBL21174078 0.77 PBK (0.38) ADORA1BTKPBKALDH1A1ADORA2B
SCHEMBL31456923 0.75 ALDH1A1 (0.46) ADORA1BTKALDH1A1ADORA2BADORA2A
SCHEMBL27374784 0.75 ALDH1A1 (0.46) ADORA1BTKALDH1A1ADORA2BADORA2A
SCHEMBL21174309 0.74 PBK (0.38) ADORA1BTKPBKADORA2BADORA2A
SCHEMBL21174152 0.74 ALDH1A1 (0.36) ADORA1BTKPBKALDH1A1ADORA3
SCHEMBL21174228 0.74 PBK (0.40) ADORA1BTKPBK

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
EP-3514149-B1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-05-18 — — EP disclosed
EP-3514149-B1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-05-18 — — EP disclosed
US-10774083-B2 Heterocyclic amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-15 — — US disclosed
US-10774083-B2 Heterocyclic amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-15 — — US disclosed
US-20190241566-A1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 — — US disclosed
US-20190241566-A1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 — — US disclosed
EP-3514149-A1 HETEROCYCLIC AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-07-24 — — EP disclosed
EP-3514149-A1 HETEROCYCLIC AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-07-24 — — 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 (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-20190241566-A1 HETEROCYCLIC AMIDE COMPOUND PRSS8, PRSS1, PRSS2 ADORA1 4707/4885BTK 3904/4885PBK 4535/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 ADORA1 4707/4885BTK 3904/4885PBK 4535/4885

“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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