SCHEMBL5419925

SCHEMBL5419925

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
JAK1 P23458 1/20 0.38
TRPV1 Q8NER1 16/20 0.38
MAPK14 Q16539 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL5419927 1.00 AXL (0.40) AXLTYRO3MERTKJAK1TRPV1
SCHEMBL5419469 0.88 AXL (0.41) AXLTYRO3MERTKTRPV1MAPK14
SCHEMBL5419632 0.88 AXL (0.41) AXLTYRO3MERTKTRPV1MAPK14
SCHEMBL5419472 0.88 AXL (0.41) AXLTYRO3MERTKTRPV1MAPK14
SCHEMBL5401838 0.88 TRPV1 (0.41) TRPV1
SCHEMBL5401833 0.88 TRPV1 (0.41) TRPV1
SCHEMBL5401843 0.88 TRPV1 (0.41) TRPV1
SCHEMBL5407547 0.86 MAP4K1 (0.43) AXLTYRO3MERTKJAK1MAPK14
SCHEMBL5407543 0.86 MAP4K1 (0.43) AXLTYRO3MERTKJAK1MAPK14
SCHEMBL5413500 0.86 MAP4K1 (0.43) AXLTYRO3MERTKJAK1MAPK14

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.