SCHEMBL22729758

SCHEMBL22729758

Cc1cn(C)c(=O)c2c(C(=O)N3CCC(c4ccc(Cl)cc4)C3)cn(C)c12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 7/20 0.53
MGLL Q99685 8/20 0.45
FASN P49327 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
MYC P01106 1/20 0.41

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
SCHEMBL22729440 0.94 PROKR1 (0.44) PROKR1MGLLFASN
SCHEMBL22729425 0.90 TP53 (0.47) MGLLLMNATP53
SCHEMBL22755306 0.85 PROKR1 (0.52) PROKR1MGLLFASNLMNATP53
SCHEMBL22729673 0.84 ALDH1A1 (0.47) PROKR1MGLLLMNATP53MYC
SCHEMBL22729626 0.83 ALDH1A1 (0.47) LMNA
SCHEMBL22729510 0.81 CCNC (0.42) PROKR1CCNCCDK8
SCHEMBL23116397 0.81 HRH1 (0.42) PROKR1MGLL
SCHEMBL22729580 0.81 SPR (0.41) MGLLLMNATP53
SCHEMBL22729772 0.80 ALDH1A1 (0.42) MGLLLMNATP53
SCHEMBL29839360 0.80 ALDH1A1 (0.42) MGLLLMNATP53

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 PROKR1 3517/4885MGLL 92/4885FASN 1169/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC PROKR1 3556/4885MGLL 91/4885FASN 1145/4885

“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.