SCHEMBL21174272

SCHEMBL21174272

O=C(NCc1ccccc1Cl)c1ncnc2nc(C3CCCC3)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ PKM P14618 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CASP6 P55212 1/20 0.39

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
SCHEMBL21174065 0.84 NPC1 (0.46) NPC1RAB9APKMRXFP1TP53
SCHEMBL21174078 0.81 PBK (0.38) ALDH1A1HPGDHSD17B10
SCHEMBL21174313 0.80 ADORA1 (0.36) ALDH1A1
SCHEMBL21174066 0.80 ADORA1 (0.36) —
SCHEMBL21174215 0.80 ADORA1 (0.38) —
SCHEMBL21174476 0.79 BTK (0.36) ALDH1A1
SCHEMBL31456923 0.78 ALDH1A1 (0.46) ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL27374784 0.78 ALDH1A1 (0.46) ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL21174309 0.76 PBK (0.38) —
SCHEMBL30751269 0.76 ADORA1 (0.41) CNR2

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 NPC1 1953/4885RAB9A 469/4885PKM 2316/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 NPC1 1953/4885RAB9A 469/4885PKM 2316/4885

“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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