SCHEMBL22729499

SCHEMBL22729499

Cc1cn(C)c(=O)c2c(C(=O)N3CCCC3c3ccccc3)cn(C)c12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.49
HSP90AB1 P08238 5/20 0.49
RIPK1 Q13546 2/20 0.49
SCD O00767 4/20 0.46
SCD5 Q86SK9 4/20 0.46
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
EPHX2 P34913 2/20 0.40
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
TRPC3 Q13507 1/20 0.40
TRPC6 Q9Y210 1/20 0.40

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
SCHEMBL22729509 0.97 HSP90AA1 (0.46) HSP90AA1HSP90AB1RIPK1SCDSCD5
SCHEMBL22729502 0.94 RIPK1 (0.47) HSP90AA1HSP90AB1RIPK1SCDSCD5
SCHEMBL22754965 0.88 HSD17B10 (0.51) SCDSCD5
SCHEMBL22729779 0.87 ROCK2 (0.43) HSP90AA1HSP90AB1RIPK1SCDSCD5
SCHEMBL23116411 0.86 ROCK2 (0.48) SCD5
SCHEMBL29839310 0.86 RIPK1 (0.42) HSP90AA1HSP90AB1RIPK1SCDSCD5
SCHEMBL22729681 0.86 RIPK1 (0.42) HSP90AA1HSP90AB1RIPK1SCDSCD5
SCHEMBL23116377 0.85 HSD17B10 (0.48) SCDSCD5
SCHEMBL23116387 0.84 HSP90AA1 (0.56) HSP90AA1HSP90AB1SCD5
SCHEMBL29839290 0.84 HSP90AA1 (0.56) HSP90AA1HSP90AB1SCD5

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
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC HSP90AA1 3000/4885HSP90AB1 2618/4885RIPK1 3562/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC HSP90AA1 3030/4885HSP90AB1 2624/4885RIPK1 3482/4885

“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.