SCHEMBL7248593

SCHEMBL7248593

Cn1ncc2c1-c1c(Nc3ccccc3)sc(C(N)=O)c1CC2

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.61
CDK8 P49336 7/20 0.61
CDK19 Q9BWU1 7/20 0.61
CDK2 P24941 11/20 0.46
CCNA2 P20248 10/20 0.46
CCNA1 P78396 10/20 0.46
AURKA O14965 6/20 0.46
PLK1 P53350 5/20 0.46
CDK4 P11802 2/20 0.46
CCND3 P30281 2/20 0.46
TTK P33981 2/20 0.46
CDK6 Q00534 2/20 0.46
PLK3 Q9H4B4 1/20 0.46
PLK2 Q9NYY3 1/20 0.46
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
CDK9 P50750 1/20 0.38
PDPK1 O15530 1/20 0.37

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
SCHEMBL7247111 0.85 CCNA2 (0.49) CCNCCDK8CDK19CDK2CCNA2
SCHEMBL7243148 0.80 CCNC (0.62) CCNCCDK8CDK19CDK2CCNA2
SCHEMBL7041310 0.80 CCNC (0.72) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7038741 0.79 CCNC (0.73) CCNCCDK8CDK19PLK1DRD2
SCHEMBL7039119 0.79 CCNC (0.61) CCNCCDK8CDK19CDK2CCNA2
SCHEMBL7241539 0.79 CCNC (0.72) CCNCCDK8CDK19DRD2DRD4
SCHEMBL6998214 0.78 CCNC (0.57) CCNCCDK8CDK19CDK2CCNA2
SCHEMBL7242470 0.77 CCNC (0.58) CCNCCDK8CDK19CDK2CCNA2
SCHEMBL7243070 0.76 CCNC (0.68) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7243019 0.74 CCNC (0.68) CCNCCDK8CDK19CDK2CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2617726-A1 DIABETES THERAPEUTIC AGENT Takeda Pharmaceutical Company Limited (JP) 2013-07-24 EP disclosed
US-20130184272-A1 DIABETES THERAPEUTIC AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-18 US disclosed
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 (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-20130184272-A1 DIABETES THERAPEUTIC AGENT FABP4, GPR119, CPT1B CCNC 3196/4885CDK8 4502/4885CDK19 4521/4885
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.