SCHEMBL5419632

SCHEMBL5419632

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
CDK2 P24941 1/20 0.40
FLT3 P36888 1/20 0.40
CCNA1 P78396 1/20 0.40
ERN1 O75460 1/20 0.40
MAPK14 Q16539 1/20 0.39
TRPV1 Q8NER1 13/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
RORC P51449 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL5419469 1.00 AXL (0.41) AXLTYRO3MERTKCDK2FLT3
SCHEMBL5419472 1.00 AXL (0.41) AXLTYRO3MERTKCDK2FLT3
SCHEMBL5407547 0.89 MAP4K1 (0.43) AXLTYRO3MERTKCDK2MAPK14
SCHEMBL5413500 0.89 MAP4K1 (0.43) AXLTYRO3MERTKCDK2MAPK14
SCHEMBL5407543 0.89 MAP4K1 (0.43) AXLTYRO3MERTKCDK2MAPK14
SCHEMBL5408627 0.88 CYP4F2 (0.38) AXLTYRO3MERTKCDK2FLT3
SCHEMBL5408626 0.88 CYP4F2 (0.38) AXLTYRO3MERTKCDK2FLT3
SCHEMBL5419925 0.88 AXL (0.40) AXLTYRO3MERTKCDK2MAPK14
SCHEMBL5419667 0.88 CYP4F2 (0.38) AXLTYRO3MERTKCDK2FLT3
SCHEMBL5419927 0.88 AXL (0.40) AXLTYRO3MERTKCDK2MAPK14

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.