SCHEMBL5418166

SCHEMBL5418166

Cc1c(OC2CCC(CN)CC2)ccc2[nH]ncc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
AKT2 P31751 1/20 0.37
ESR1 P03372 7/20 0.33
ESR2 Q92731 7/20 0.33
MAP2K1 Q02750 1/20 0.32
MAP4K1 Q92918 2/20 0.31
MET P08581 1/20 0.31
AR P10275 1/20 0.31
ROCK1 Q13464 2/20 0.31
IDO1 P14902 2/20 0.31
TDO2 P48775 1/20 0.31
ABL1 P00519 1/20 0.30

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
Hydrochloric Acid SCHEMBL5417079 0.99 AXL (0.43) AXLTYRO3MERTKAKT2ESR1
SCHEMBL5412950 0.85 AXL (0.38) AXLTYRO3MERTKAKT2ESR1
SCHEMBL5412435 0.85 AXL (0.38) AXLTYRO3MERTKAKT2ESR1
SCHEMBL5412432 0.85 AXL (0.38) AXLTYRO3MERTKAKT2ESR1
SCHEMBL5412422 0.85 AXL (0.38) AXLTYRO3MERTKAKT2ESR1
SCHEMBL5412945 0.85 AXL (0.38) AXLTYRO3MERTKAKT2ESR1
SCHEMBL5410905 0.85 AXL (0.43) AXLTYRO3MERTKAKT2ESR1
SCHEMBL5410993 0.85 AXL (0.43) AXLTYRO3MERTKAKT2ESR1
SCHEMBL5410900 0.85 AXL (0.43) AXLTYRO3MERTKAKT2ESR1
Hydrochloric Acid SCHEMBL5415158 0.84 AXL (0.37) AXLTYRO3MERTKAKT2ESR1

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.