SCHEMBL21174309

SCHEMBL21174309

O=C(NCc1cccc2ccnn12)c1ncnc2nc(C3CCCC3)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PBK Q96KB5 8/20 0.38
▸ BTK Q06187 3/20 0.34
▸ ADORA1 P30542 7/20 0.34
▸ NR3C2 P08235 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.32

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
SCHEMBL21174228 0.83 PBK (0.40) PBKBTKADORA1
SCHEMBL21174216 0.79 ADORA1 (0.41) PBKADORA1
SCHEMBL27374784 0.77 ALDH1A1 (0.46) BTKADORA1ADORA2AADORA2B
SCHEMBL31456923 0.77 ALDH1A1 (0.46) BTKADORA1ADORA2AADORA2B
SCHEMBL21174371 0.77 PI4KB (0.43) PBKADORA1
SCHEMBL21174272 0.76 NPC1 (0.44) —
SCHEMBL21174078 0.76 PBK (0.38) PBKBTKADORA1ADORA2AADORA2B
SCHEMBL21174114 0.75 ADORA1 (0.39) PBKBTKADORA1
SCHEMBL21174050 0.75 CTSD (0.40) PBKADORA1
SCHEMBL21174313 0.74 ADORA1 (0.36) PBKBTKADORA1ADORA2AADORA2B

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 PBK 4535/4885BTK 3904/4885ADORA1 4707/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 PBK 4535/4885BTK 3904/4885ADORA1 4707/4885

“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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