SCHEMBL21174070

SCHEMBL21174070

Cn1ncc2cccc(CNC(=O)c3nccc4nc(C5CCCC5)[nH]c34)c21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.35
▸ ADORA1 P30542 4/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ PIK3CD O00329 8/20 0.34
▸ PBK Q96KB5 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ PCSK9 Q8NBP7 1/20 0.33
▸ EZH2 Q15910 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
SCHEMBL21174092 0.87 TRPV1 (0.36) BTKADORA1ADORA2APBKADORA2B
SCHEMBL21174152 0.81 ALDH1A1 (0.36) BTKADORA1ADORA2APBKADORA2B
SCHEMBL21174065 0.80 NPC1 (0.46) —
SCHEMBL29634661 0.77 BTK (0.46) BTK
SCHEMBL21174407 0.77 BTK (0.46) BTK
SCHEMBL21181133 0.77 BTK (0.34) BTKADORA1PBK
SCHEMBL21181113 0.77 HCRTR1 (0.36) BTKADORA1ADORA2APIK3CDPBK
SCHEMBL21174254 0.75 PDE4A (0.34) BTKADORA1ADORA2APIK3CD
SCHEMBL21174395 0.75 POLB (0.42) ADORA1PBK
SCHEMBL21174373 0.74 ROCK2 (0.43) —

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 6 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

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 BTK 3904/4885ADORA1 4707/4885ADORA2A 4751/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 BTK 3904/4885ADORA1 4707/4885ADORA2A 4751/4885

“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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