SCHEMBL7241971

SCHEMBL7241971

CCCCc1sc(C(N)=O)c2c1-c1nn(C)cc1CC2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.45
CCNC P24863 10/20 0.40
CDK8 P49336 10/20 0.40
CDK19 Q9BWU1 10/20 0.40
DRD2 P14416 1/20 0.39
IKBKB O14920 6/20 0.38
CDK9 P50750 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL7242734 0.96 DRD4 (0.44) DRD4CCNCCDK8CDK19DRD2
SCHEMBL7250985 0.90 DRD4 (0.46) DRD4CCNCCDK8CDK19DRD2
SCHEMBL7243482 0.86 MAPT (0.48) DRD4DRD2KDM4EALDH1A1LMNA
SCHEMBL7242393 0.86 DRD4 (0.44) DRD4CCNCCDK8CDK19DRD2
SCHEMBL7243563 0.83 MAPT (0.47) DRD4DRD2IKBKBKDM4EALDH1A1
SCHEMBL7248643 0.81 DRD4 (0.44) DRD4CCNCCDK8CDK19DRD2
SCHEMBL7246693 0.80 DRD4 (0.67) DRD4CCNCCDK8CDK19DRD2
SCHEMBL7249846 0.80 CCNC (0.46) DRD4CCNCCDK8CDK19DRD2
SCHEMBL7249277 0.78 CCNC (0.63) DRD4CCNCCDK8CDK19DRD2
SCHEMBL7243276 0.77 CCNC (0.61) DRD4CCNCCDK8CDK19DRD2

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 DRD4 567/4885CCNC 2012/4885CDK8 3614/4885

“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.