SCHEMBL5401746

SCHEMBL5401746

Cc1c(OC2CCCC(N(C)C)C2)ccc2[nH]ncc12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
S1PR1 P21453 3/20 0.32
S1PR3 Q99500 1/20 0.31
SOS1 Q07889 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
SCHEMBL5401742 1.00 AXL (0.37) AXLTYRO3MERTKS1PR1S1PR3
Hydrochloric Acid SCHEMBL5409989 0.99 AXL (0.36) AXLTYRO3MERTKS1PR1S1PR3
Hydrochloric Acid SCHEMBL5409986 0.99 AXL (0.36) AXLTYRO3MERTKS1PR1S1PR3
Hydrochloric Acid SCHEMBL5409981 0.99 AXL (0.36) AXLTYRO3MERTKS1PR1S1PR3
SCHEMBL5410779 0.89 AXL (0.42) AXLTYRO3MERTK
SCHEMBL5414953 0.89 AXL (0.42) AXLTYRO3MERTK
SCHEMBL5410782 0.89 AXL (0.42) AXLTYRO3MERTK
SCHEMBL5407621 0.87 AXL (0.39) AXLTYRO3MERTKS1PR1
SCHEMBL5407629 0.87 AXL (0.39) AXLTYRO3MERTKS1PR1
SCHEMBL5412795 0.87 AXL (0.34) AXLTYRO3MERTKS1PR1

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.