SCHEMBL21174215

SCHEMBL21174215

Cn1cnc2c(CNC(=O)c3ncnc4nc(C5CCCC5)[nH]c34)cccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 9/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ BTK Q06187 3/20 0.35
▸ PBK Q96KB5 2/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ SYK P43405 2/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ PTGES O14684 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
SCHEMBL21174066 0.86 ADORA1 (0.36) ADORA1ADORA2ABTKPBKADORA3
SCHEMBL21174313 0.84 ADORA1 (0.36) ADORA1ADORA2ABTKPBKADORA3
SCHEMBL21174476 0.80 BTK (0.36) ADORA1BTKPBKADORA3SYK
SCHEMBL21174272 0.80 NPC1 (0.44) —
SCHEMBL21174078 0.79 PBK (0.38) ADORA1ADORA2ABTKPBKADORA2B
SCHEMBL21174114 0.75 ADORA1 (0.39) ADORA1BTKPBKADORA3
SCHEMBL31456923 0.75 ALDH1A1 (0.46) ADORA1ADORA2ABTKADORA2B
SCHEMBL27374784 0.75 ALDH1A1 (0.46) ADORA1ADORA2ABTKADORA2B
SCHEMBL21174309 0.74 PBK (0.38) ADORA1ADORA2ABTKPBKADORA2B
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 7 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
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 4707/4885ADORA2A 4751/4885EGLN1 526/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 ADORA1 4707/4885ADORA2A 4751/4885EGLN1 526/4885

“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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