SCHEMBL5421963

SCHEMBL5421963

Cc1c(OC2CCCC(N3CCOCC3)C2)ccc2[nH]ncc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.37
FLT3 P36888 1/20 0.37
CCNA1 P78396 1/20 0.37
AXL P30530 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
IRAK4 Q9NWZ3 4/20 0.37
HRH3 Q9Y5N1 5/20 0.36
KCNH2 Q12809 2/20 0.36
SETD2 Q9BYW2 1/20 0.34
SLC6A4 P31645 1/20 0.33
PIK3CA P42336 2/20 0.33
LRRK2 Q5S007 1/20 0.33
ERN1 O75460 1/20 0.32
ROCK2 O75116 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
PIK3CG P48736 1/20 0.31

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
SCHEMBL5421962 1.00 CDK2 (0.37) CDK2FLT3CCNA1AXLTYRO3
SCHEMBL5421960 1.00 CDK2 (0.37) CDK2FLT3CCNA1AXLTYRO3
Hydrochloric Acid SCHEMBL5409131 0.90 AXL (0.38) AXLTYRO3MERTKHRH3KCNH2
Hydrochloric Acid SCHEMBL5409122 0.90 AXL (0.38) AXLTYRO3MERTKHRH3KCNH2
SCHEMBL5410006 0.90 AXL (0.38) AXLTYRO3MERTKHRH3KCNH2
SCHEMBL5410001 0.90 AXL (0.38) AXLTYRO3MERTKHRH3KCNH2
Hydrochloric Acid SCHEMBL5409125 0.90 AXL (0.38) AXLTYRO3MERTKHRH3KCNH2
SCHEMBL5410008 0.90 AXL (0.38) AXLTYRO3MERTKHRH3KCNH2
Hydrochloric Acid SCHEMBL5407831 0.86 IRAK4 (0.45) CDK2FLT3CCNA1AXLTYRO3
SCHEMBL5412679 0.81 HRH3 (0.47) AXLTYRO3MERTKHRH3KCNH2

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 CDK2 443/4885FLT3 2042/4885CCNA1 750/4885

“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.