SCHEMBL22729779

SCHEMBL22729779

Cc1cn(C)c(=O)c2c(C(=O)N3CCCC3c3ccc(C(F)(F)F)cc3)cn(C)c12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
RIPK1 Q13546 1/20 0.38
HSD17B10 Q99714 1/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TACR1 P25103 1/20 0.36
HCRTR1 O43613 4/20 0.36
SCD5 Q86SK9 2/20 0.36
DPP4 P27487 1/20 0.36
CCNC P24863 3/20 0.36
CDK8 P49336 3/20 0.36
SCD O00767 1/20 0.35
HCRTR2 O43614 2/20 0.35

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
SCHEMBL29839310 0.89 RIPK1 (0.42) ROCK2RIPK1HSP90AA1HSP90AB1TACR1
SCHEMBL22729681 0.89 RIPK1 (0.42) ROCK2RIPK1HSP90AA1HSP90AB1TACR1
SCHEMBL22729499 0.87 HSP90AA1 (0.49) RIPK1HSP90AA1HSP90AB1SCD5CCNC
SCHEMBL22754965 0.85 HSD17B10 (0.51) ROCK2HSD17B10HCRTR1SCD5SCD
SCHEMBL22729509 0.84 HSP90AA1 (0.46) ROCK2RIPK1HSP90AA1HSP90AB1SCD5
SCHEMBL29839331 0.83 HSP90AA1 (0.43) HSP90AA1HSP90AB1HCRTR1HCRTR2
SCHEMBL22729556 0.83 HSP90AA1 (0.43) HSP90AA1HSP90AB1HCRTR1HCRTR2
SCHEMBL22729753 0.83 CCNC (0.41) ROCK2RIPK1HSD17B10HCRTR1SCD5
SCHEMBL23116377 0.83 HSD17B10 (0.48) ROCK2HSD17B10HCRTR1SCD5SCD
SCHEMBL22729510 0.81 CCNC (0.42) ROCK2RIPK1CCNCCDK8

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 5 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
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 ROCK2 1789/4885RIPK1 3562/4885HSD17B10 1790/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC ROCK2 1789/4885RIPK1 3482/4885HSD17B10 1691/4885

“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.