SCHEMBL7040544

SCHEMBL7040544

Cn1ncc2c1-c1c(Cc3ccccc3)sc(C(=O)O)c1CC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.49
CDK8 P49336 5/20 0.49
CDK19 Q9BWU1 5/20 0.49
DRD2 P14416 4/20 0.45
DRD4 P21917 4/20 0.45
CCNA2 P20248 6/20 0.35
CDK2 P24941 6/20 0.35
CCNA1 P78396 6/20 0.35
PLK1 P53350 2/20 0.35
AURKA O14965 3/20 0.35
ACHE P22303 1/20 0.34
IGF1R P08069 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL7039119 0.92 CCNC (0.61) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7041432 0.88 CCNC (0.46) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7249998 0.80 CCNC (0.48) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7065565 0.79 CCNC (0.61) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7246869 0.79 DRD4 (0.68) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7063926 0.78 CCNC (0.60) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7249355 0.78 DRD4 (0.45) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7247103 0.76 CCNC (0.54) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7246668 0.76 CCNC (0.54) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7246892 0.76 CCNC (0.41) 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 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.