SCHEMBL5405682

SCHEMBL5405682

Cc1c(O[C@H]2CC[C@@H](NC(=O)C3CCOC3)CC2)ccc2[nH]ncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
KDM5A P29375 2/20 0.39
AXL P30530 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
MAP4K1 Q92918 2/20 0.37
PIK3CD O00329 2/20 0.36
PIK3R1 P27986 1/20 0.36
PDE4B Q07343 1/20 0.36
DRD2 P14416 3/20 0.35
HTR2A P28223 3/20 0.35
DRD3 P35462 3/20 0.35
MAPK10 P53779 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
MAPK14 Q16539 1/20 0.34
NTRK1 P04629 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL5405688 1.00 CCNA2 (0.43) CCNA2CDK2GSK3AGSK3BKDM5A
SCHEMBL5416473 1.00 CCNA2 (0.43) CCNA2CDK2GSK3AGSK3BKDM5A
SCHEMBL5401787 0.89 KDM5A (0.37) CCNA2CDK2GSK3AGSK3BKDM5A
SCHEMBL5401784 0.89 KDM5A (0.37) CCNA2CDK2GSK3AGSK3BKDM5A
SCHEMBL5401778 0.89 KDM5A (0.37) CCNA2CDK2GSK3AGSK3BKDM5A
SCHEMBL5407543 0.89 MAP4K1 (0.43) CCNA2CDK2GSK3AGSK3BAXL
SCHEMBL5407547 0.89 MAP4K1 (0.43) CCNA2CDK2GSK3AGSK3BAXL
SCHEMBL5413500 0.89 MAP4K1 (0.43) CCNA2CDK2GSK3AGSK3BAXL
SCHEMBL5415009 0.87 POLB (0.40) CCNA2CDK2GSK3AGSK3BAXL
SCHEMBL5409381 0.87 POLB (0.40) CCNA2CDK2GSK3AGSK3BAXL

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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 (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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA CCNA2 2262/4885CDK2 443/4885GSK3A 535/4885

“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.