SCHEMBL18429129

SCHEMBL18429129

CCOC(=O)c1sc(SC)c2c1CCc1nnsc1-2

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.69
CDK8 P49336 6/20 0.69
CDK19 Q9BWU1 6/20 0.69
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KDM4E B2RXH2 3/20 0.53
ADORA3 P0DMS8 1/20 0.47
CDK9 P50750 1/20 0.42
ADORA2A P29274 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 2/20 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
SCHEMBL18429106 0.83 CCNC (0.79) CCNCCDK8CDK19MEN1KMT2A
SCHEMBL18429103 0.82 CCNC (1.00) CCNCCDK8CDK19MEN1KMT2A
SCHEMBL18429388 0.79 CCNC (0.71) CCNCCDK8CDK19MEN1KMT2A
SCHEMBL6987272 0.76 MEN1 (0.57) CCNCCDK8CDK19MEN1KMT2A
SCHEMBL6994907 0.75 MEN1 (0.58) CCNCCDK8CDK19MEN1KMT2A
SCHEMBL6985502 0.74 KDM4E (0.59) CCNCCDK8CDK19MEN1KMT2A
SCHEMBL1857463 0.73 NPSR1 (1.00) MEN1KMT2ANPSR1KDM4EADORA3
SCHEMBL7244568 0.73 NPSR1 (0.95) MEN1KMT2ANPSR1KDM4EADORA3
SCHEMBL6991615 0.72 MEN1 (0.51) CCNCCDK8CDK19MEN1KMT2A
SCHEMBL2561361 0.71 MEN1 (0.59) MEN1KMT2ANPSR1KDM4EADORA3

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
EP-3133075-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-12-30 EP disclosed
US-9745325-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-29 US disclosed
EP-3133075-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-02-22 EP disclosed
US-20170037057-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-09 US 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 (1 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-20170037057-A1 FUSED HETEROCYCLIC COMPOUND CDK8, CDK9, CDK19 CCNC 29/4885CDK8 1/4885CDK19 3/4885

“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.