SCHEMBL7247111

SCHEMBL7247111

CCOC(=O)c1sc(Nc2ccccc2)c2c1CCc1cnn(C)c1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.49
CDK2 P24941 3/20 0.49
CDK4 P11802 2/20 0.49
CCND3 P30281 2/20 0.49
CCNA1 P78396 1/20 0.49
CDK6 Q00534 1/20 0.49
MAPT P10636 4/20 0.45
HPGD P15428 3/20 0.45
CCNC P24863 2/20 0.45
CDK8 P49336 2/20 0.45
CDK19 Q9BWU1 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
DHODH Q02127 3/20 0.43
ILK Q13418 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 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
SCHEMBL7248593 0.85 CCNC (0.61) CCNA2CDK2CDK4CCND3CCNA1
SCHEMBL7249156 0.83 CCNC (0.46) CCNA2CDK2CDK4CCND3CCNA1
SCHEMBL7242256 0.83 CCNC (0.58) CCNA2CDK2CDK4CCND3CCNA1
SCHEMBL7041432 0.82 CCNC (0.46) CCNA2CDK2CDK4CCND3CCNA1
SCHEMBL7246960 0.82 CCNC (0.52) CCNA2CDK2CDK4CCND3CCNA1
SCHEMBL7241940 0.82 DRD2 (0.61) CCNA2CDK2CDK4CCND3CCNA1
SCHEMBL7064675 0.81 CCNC (0.53) CCNA2CDK2CDK4CCND3CCNA1
SCHEMBL7249325 0.80 MAPT (0.46) CCNA2CDK2CDK4CCND3CCNA1
SCHEMBL7249241 0.80 ADORA2A (0.62) CCNA2CDK2CDK4CCND3CCNA1
SCHEMBL7247724 0.79 CCNC (0.55) CCNA2CDK2CDK4CCND3CCNA1

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 CCNA2 2082/4885CDK2 1044/4885CDK4 1059/4885

“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.