SCHEMBL7249659

SCHEMBL7249659

Cn1ncc2c1-c1c(Sc3ccccn3)sc(C(=O)O)c1CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 9/20 0.55
CDK8 P49336 9/20 0.55
CDK19 Q9BWU1 9/20 0.55
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AURKA O14965 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
PLK1 P53350 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK9 P50750 1/20 0.32

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
SCHEMBL7243019 0.91 CCNC (0.68) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7243399 0.87 CCNC (0.50) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7063926 0.87 CCNC (0.60) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7249977 0.79 CCNC (0.64) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7038741 0.79 CCNC (0.73) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7243328 0.76 CCNC (0.60) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7250302 0.76 CCNC (0.64) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7065565 0.75 CCNC (0.61) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7064675 0.75 CCNC (0.53) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7246869 0.75 DRD4 (0.68) CCNCCDK8CDK19DRD2DRD4

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.