SCHEMBL21174489

SCHEMBL21174489

O=C(O)c1nccc2nc(C3CCCC3)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 4/20 0.47
▸ KDM5A P29375 3/20 0.47
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ADORA3 P0DMS8 4/20 0.39
▸ ADORA1 P30542 4/20 0.39
▸ ADORA2A P29274 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ PBK Q96KB5 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GFER P55789 1/20 0.38

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
SCHEMBL21174428 0.82 NPC1 (0.40) KDM5BKDM5ACYP2D6CYP2C9ADORA3
SCHEMBL21174140 0.78 CCKBR (0.42) CYP2D6CYP2C9
SCHEMBL30751343 0.76 ADORA1 (0.42) KDM5BKDM5AADORA3ADORA1ADORA2A
SCHEMBL27374320 0.76 ADORA1 (0.42) KDM5BKDM5AADORA3ADORA1ADORA2A
SCHEMBL21174072 0.76 USP30 (0.43) CYP2D6CYP2C9ADORA3ADORA1ADORA2B
SCHEMBL21174065 0.75 NPC1 (0.46) NPC1RAB9A
SCHEMBL21174395 0.74 POLB (0.42) CYP2D6CYP2C9ADORA1PBKMAPT
SCHEMBL21174174 0.73 NPC1 (0.40) KDM5BKDM5AADORA3ADORA1ADORA2A
SCHEMBL21174373 0.72 ROCK2 (0.43) KDM5BCYP2D6CYP2C9NPC1RAB9A
SCHEMBL8235212 0.69 PBK (0.62) KDM5BKDM5APBK

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 4 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-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 KDM5B 3523/4885KDM5A 3419/4885CYP2D6 4142/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 KDM5B 3523/4885KDM5A 3419/4885CYP2D6 4142/4885

“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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