SCHEMBL5409107

SCHEMBL5409107

Cc1c(OC2CCC(N(C)C3CCCC3)CC2)ccc2[nH]ncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
S1PR1 P21453 3/20 0.33
IDO1 P14902 2/20 0.32
TDO2 P48775 2/20 0.32
JAK3 P52333 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
S1PR3 Q99500 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CDK2 P24941 2/20 0.31
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNE1 P24864 1/20 0.31
CCNB3 Q8WWL7 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
SCHEMBL5401576 0.96 AXL (0.42) AXLTYRO3MERTKIDO1CYP4F2
SCHEMBL5410782 0.90 AXL (0.42) AXLTYRO3MERTKIDO1CYP4F2
SCHEMBL5410779 0.90 AXL (0.42) AXLTYRO3MERTKIDO1CYP4F2
SCHEMBL5414953 0.90 AXL (0.42) AXLTYRO3MERTKIDO1CYP4F2
SCHEMBL5401746 0.84 AXL (0.37) AXLTYRO3MERTKS1PR1S1PR3
SCHEMBL5404554 0.84 AXL (0.44) AXLTYRO3MERTKALDH1A1ESR1
SCHEMBL5401742 0.84 AXL (0.37) AXLTYRO3MERTKS1PR1S1PR3
SCHEMBL5417766 0.84 AXL (0.44) AXLTYRO3MERTKALDH1A1ESR1
SCHEMBL5404564 0.84 AXL (0.44) AXLTYRO3MERTKALDH1A1ESR1
Hydrochloric Acid SCHEMBL5409989 0.83 AXL (0.36) AXLTYRO3MERTKS1PR1S1PR3

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 AXL 1805/4885TYRO3 961/4885MERTK 2198/4885

“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.