SCHEMBL5413095

SCHEMBL5413095

N[C@H]1CC[C@@H](Oc2ccc3[nH]ncc3c2C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 9/20 0.40
CDK2 P24941 4/20 0.39
FLT3 P36888 4/20 0.39
CCNA1 P78396 4/20 0.39
AXL P30530 1/20 0.38
TRPA1 O75762 1/20 0.35
FEN1 P39748 1/20 0.34
EPAS1 Q99814 2/20 0.32
ENPP2 Q13822 2/20 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
SCHEMBL5412607 1.00 TIPARP (0.40) TIPARPCDK2FLT3CCNA1AXL
SCHEMBL5412603 1.00 TIPARP (0.40) TIPARPCDK2FLT3CCNA1AXL
SCHEMBL5404796 0.85 CDK2 (0.36) TIPARPCDK2FLT3CCNA1AXL
SCHEMBL5418417 0.85 CDK2 (0.36) TIPARPCDK2FLT3CCNA1AXL
SCHEMBL5418418 0.85 CDK2 (0.36) TIPARPCDK2FLT3CCNA1AXL
SCHEMBL5404804 0.85 CDK2 (0.36) TIPARPCDK2FLT3CCNA1AXL
SCHEMBL5404819 0.85 CDK2 (0.36) TIPARPCDK2FLT3CCNA1AXL
SCHEMBL5404601 0.85 TIPARP (0.37) TIPARPCDK2FLT3CCNA1AXL
SCHEMBL5404603 0.85 TIPARP (0.37) TIPARPCDK2FLT3CCNA1AXL
SCHEMBL5401679 0.81 TIPARP (0.47) TIPARPAXL

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 TIPARP 1305/4885CDK2 443/4885FLT3 2042/4885

“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.