SCHEMBL7249355

SCHEMBL7249355

Cn1cc2c(n1)-c1c(Cc3ccccc3)sc(C(=O)O)c1CC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.45
DRD2 P14416 1/20 0.39
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
CDK19 Q9BWU1 2/20 0.35
POLB P06746 3/20 0.35
MAPT P10636 1/20 0.34
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
CCNA1 P78396 3/20 0.34
PLK1 P53350 1/20 0.34
IGF1R P08069 2/20 0.34
AURKA O14965 1/20 0.33
ADCY10 Q96PN6 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 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
SCHEMBL7248643 0.92 DRD4 (0.44) DRD4DRD2CCNCCDK8CDK19
SCHEMBL7039651 0.88 ALDH1A1 (0.43) DRD4MAPTCCNA2CDK2CCNA1
SCHEMBL7243213 0.79 DRD4 (0.68) DRD4DRD2CCNCCDK8CDK19
SCHEMBL7040544 0.78 CCNC (0.49) DRD4DRD2CCNCCDK8CDK19
SCHEMBL7247769 0.76 DRD4 (0.38) DRD4DRD2CCNCCDK8CDK19
SCHEMBL7250126 0.76 MAPT (0.49) DRD4POLBMAPTALDH1A1
SCHEMBL7248676 0.76 CCNC (0.57) DRD4DRD2CCNCCDK8CDK19
SCHEMBL7249584 0.74 DRD4 (0.45) DRD4DRD2CCNCCDK8CDK19
SCHEMBL7241971 0.72 DRD4 (0.45) DRD4DRD2CCNCCDK8CDK19
SCHEMBL7243482 0.69 MAPT (0.48) DRD4DRD2MAPTSMN1; SMN2ALDH1A1

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 567/4885DRD2 616/4885CCNC 2012/4885

“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.