SCHEMBL21174140

SCHEMBL21174140

O=C(O)c1cccc(CNC(=O)c2nccc3nc(C4CCCC4)[nH]c23)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ ACMSD Q8TDX5 1/20 0.41
▸ CYP4Z1 Q86W10 1/20 0.41
▸ ROCK2 O75116 2/20 0.40
▸ DGAT2 Q96PD7 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PPM1D O15297 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ROCK1 Q13464 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
SCHEMBL21174373 0.91 ROCK2 (0.43) ROCK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21174072 0.89 USP30 (0.43) ROCK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21174395 0.88 POLB (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21181251 0.85 CYP1A2 (0.35) ROCK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21174180 0.83 KDM1A (0.44) —
SCHEMBL21181044 0.83 ROCK2 (0.34) ROCK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21174407 0.81 BTK (0.46) ROCK2MAPK1
SCHEMBL29634661 0.81 BTK (0.46) ROCK2MAPK1
SCHEMBL21174489 0.78 KDM5B (0.47) CYP2D6CYP2C9
SCHEMBL21174065 0.78 NPC1 (0.46) ROCK2CYP1A2CYP3A4CYP2C19

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 CCKBR 196/4885NR1H4 2526/4885ACMSD 1512/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 CCKBR 196/4885NR1H4 2526/4885ACMSD 1512/4885

“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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