SCHEMBL5410993

SCHEMBL5410993

Cc1c(O[C@H]2CC[C@@H](N)CC2)ccc2[nH]ncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
FEN1 P39748 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MET P08581 1/20 0.33
AKT2 P31751 1/20 0.33
IDO1 P14902 1/20 0.33
MAP4K1 Q92918 3/20 0.32
ABL1 P00519 1/20 0.32
CDK2 P24941 1/20 0.32
FLT3 P36888 1/20 0.32
CCNA1 P78396 1/20 0.32
ENPP1 P22413 1/20 0.32
BRD4 O60885 1/20 0.32
TIPARP Q7Z3E1 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
IRAK1 P51617 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
SCHEMBL5410900 1.00 AXL (0.43) AXLTYRO3MERTKFEN1ESR1
SCHEMBL5410905 1.00 AXL (0.43) AXLTYRO3MERTKFEN1ESR1
Hydrochloric Acid SCHEMBL5412629 0.99 AXL (0.42) AXLTYRO3MERTKFEN1ESR1
Hydrochloric Acid SCHEMBL5412640 0.99 AXL (0.42) AXLTYRO3MERTKFEN1ESR1
SCHEMBL5409008 0.85 AXL (0.38) AXLTYRO3MERTKFEN1ESR1
SCHEMBL5418166 0.85 AXL (0.43) AXLTYRO3MERTKESR1ESR2
SCHEMBL5409004 0.85 AXL (0.38) AXLTYRO3MERTKFEN1ESR1
SCHEMBL5412245 0.85 AXL (0.38) AXLTYRO3MERTKFEN1ESR1
SCHEMBL5401576 0.85 AXL (0.42) AXLTYRO3MERTKESR1ESR2
SCHEMBL5413106 0.84 AXL (0.42) AXLTYRO3MERTKTIPARP

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.