SCHEMBL21174152

SCHEMBL21174152

Cn1cc2c(CNC(=O)c3nccc4nc(C5CCCC5)[nH]c34)cccc2n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ BTK Q06187 2/20 0.35
▸ PBK Q96KB5 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ ADORA1 P30542 5/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PEX14 O75381 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 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) ALDH1A1BTKPBKSYKADORA1
SCHEMBL21174092 0.84 TRPV1 (0.36) BTKPBKSYKADORA1ADORA2A
SCHEMBL21174070 0.81 BTK (0.35) BTKPBKADORA1ADORA2AADORA2B
SCHEMBL21174065 0.80 NPC1 (0.46) MEN1KMT2A
SCHEMBL29634661 0.77 BTK (0.46) BTK
SCHEMBL21174407 0.77 BTK (0.46) BTK
SCHEMBL21181113 0.77 HCRTR1 (0.36) BTKPBKADORA1ADORA2A
SCHEMBL21181133 0.77 BTK (0.34) BTKPBKADORA1
SCHEMBL21174395 0.75 POLB (0.42) PBKADORA1MEN1KMT2ALMNA
SCHEMBL21174373 0.74 ROCK2 (0.43) LMNA

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
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 ALDH1A1 3401/4885BTK 3904/4885PBK 4535/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 ALDH1A1 3401/4885BTK 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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