SCHEMBL7248676

SCHEMBL7248676

CSc1sc(C(=O)O)c2c1-c1nn(C)cc1CC2

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNC P24863 13/20 0.57
CDK8 P49336 13/20 0.57
CDK19 Q9BWU1 13/20 0.57
DRD4 P21917 2/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CDK9 P50750 1/20 0.45
DRD2 P14416 1/20 0.42
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7243276 0.89 CCNC (0.61) CCNCCDK8CDK19DRD4KDM4E
SCHEMBL7249584 0.85 DRD4 (0.45) CCNCCDK8CDK19DRD4KDM4E
SCHEMBL7246971 0.84 KDM4E (0.55) CCNCCDK8CDK19DRD4KDM4E
SCHEMBL7243213 0.84 DRD4 (0.68) CCNCCDK8CDK19DRD4KDM4E
SCHEMBL7250985 0.77 DRD4 (0.46) CCNCCDK8CDK19DRD4KDM4E
SCHEMBL7249355 0.76 DRD4 (0.45) CCNCCDK8CDK19DRD4ALDH1A1
SCHEMBL7242393 0.75 DRD4 (0.44) CCNCCDK8CDK19DRD4KDM4E
SCHEMBL7249846 0.75 CCNC (0.46) CCNCCDK8CDK19DRD4CDK9
SCHEMBL24340342 0.75 CCNC (0.48) CCNCCDK8CDK19KDM4EALDH1A1
SCHEMBL7243517 0.73 DRD4 (0.45) DRD4KDM4EALDH1A1DRD2MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030158245-A1 Fused heterocyclic derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 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-20030158245-A1 Fused heterocyclic derivatives, their production and use TST, STS, AHR CCNC 2012/4885CDK8 3614/4885CDK19 2184/4885

“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.