SCHEMBL22729753

SCHEMBL22729753

Cc1cn(C)c(=O)c2c(C(=O)N3CCC3c3ccc(F)cc3)cn(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.41
CDK8 P49336 4/20 0.41
SCD5 Q86SK9 1/20 0.37
RIPK1 Q13546 2/20 0.35
ROCK2 O75116 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SPR P35270 5/20 0.33

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
SCHEMBL22729510 0.89 CCNC (0.42) CCNCCDK8RIPK1ROCK2ALDH1A1
SCHEMBL22729830 0.89 CCNC (0.36) CCNCCDK8SCD5RIPK1ALDH1A1
SCHEMBL22729502 0.89 RIPK1 (0.47) CCNCCDK8SCD5RIPK1ALDH1A1
SCHEMBL22754934 0.85 CCNC (0.41) CCNCCDK8SCD5ROCK2MEN1
SCHEMBL22729499 0.83 HSP90AA1 (0.49) CCNCCDK8SCD5RIPK1
SCHEMBL22729779 0.83 ROCK2 (0.43) CCNCCDK8SCD5RIPK1ROCK2
SCHEMBL22729509 0.82 HSP90AA1 (0.46) CCNCCDK8SCD5RIPK1ROCK2
SCHEMBL22754965 0.82 HSD17B10 (0.51) SCD5ROCK2ALDH1A1HSD17B10ALOX15
SCHEMBL22729659 0.82 ROCK2 (0.39) SCD5RIPK1ROCK2ALDH1A1LMNA
SCHEMBL23116377 0.81 HSD17B10 (0.48) SCD5ROCK2ALDH1A1LMNANPSR1

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 CCNC 4013/4885CDK8 3529/4885SCD5 1293/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC CCNC 3937/4885CDK8 3463/4885SCD5 1219/4885

“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.