SCHEMBL7038741

SCHEMBL7038741

Cn1ncc2c1-c1c(Sc3ccccc3)sc(C(N)=O)c1CC2

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNC P24863 16/20 0.73
CDK8 P49336 16/20 0.73
CDK19 Q9BWU1 16/20 0.73
CDK9 P50750 1/20 0.44
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44
PLK1 P53350 1/20 0.40

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
SCHEMBL7063926 0.92 CCNC (0.60) CCNCCDK8CDK19CDK9DRD2
SCHEMBL7243019 0.86 CCNC (0.68) CCNCCDK8CDK19CDK9DRD2
SCHEMBL7064675 0.85 CCNC (0.53) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7241621 0.82 CCNC (0.78) CCNCCDK8CDK19CDK9DRD2
SCHEMBL7096849 0.80 CCNC (0.74) CCNCCDK8CDK19CDK9DRD2
SCHEMBL7041310 0.80 CCNC (0.72) CCNCCDK8CDK19CDK9DRD2
SCHEMBL7039119 0.79 CCNC (0.61) CCNCCDK8CDK19CDK9DRD2
Hydrochloric Acid SCHEMBL7241413 0.79 CCNC (0.73) CCNCCDK8CDK19CDK9DRD2
SCHEMBL7248593 0.79 CCNC (0.61) CCNCCDK8CDK19CDK9DRD2
SCHEMBL7249659 0.79 CCNC (0.55) CCNCCDK8CDK19CDK9DRD2

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
US-20030185878-A1 Process for producing phospholipid-containing drug TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
US-20030158245-A1 Fused heterocyclic derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 US disclosed
EP-1293197-A1 PROCESS FOR PRODUCING PHOSPHOLIPID-CONTAINING DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP 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-20030185878-A1 Process for producing phospholipid-containing drug PHOSPHO1, PLTP, PTDSS2 CCNC 3385/4885CDK8 2673/4885CDK19 3344/4885
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.