SCHEMBL5410001

SCHEMBL5410001

Cc1c(O[C@H]2CCC[C@@H](N3CCCCC3)C2)ccc2[nH]ncc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
HRH3 Q9Y5N1 10/20 0.38
KCNH2 Q12809 4/20 0.38
SMYD2 Q9NRG4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SOS1 Q07889 1/20 0.32
P4HB P07237 2/20 0.31
SLC9A3 P48764 1/20 0.31
SLC6A4 P31645 2/20 0.31
KDM2B Q8NHM5 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
SCHEMBL5410006 1.00 AXL (0.38) AXLTYRO3MERTKHRH3KCNH2
SCHEMBL5410008 1.00 AXL (0.38) AXLTYRO3MERTKHRH3KCNH2
Hydrochloric Acid SCHEMBL5409131 0.98 AXL (0.38) AXLTYRO3MERTKHRH3KCNH2
Hydrochloric Acid SCHEMBL5409125 0.98 AXL (0.38) AXLTYRO3MERTKHRH3KCNH2
Hydrochloric Acid SCHEMBL5409122 0.98 AXL (0.38) AXLTYRO3MERTKHRH3KCNH2
SCHEMBL5421963 0.90 CDK2 (0.37) AXLTYRO3MERTKHRH3KCNH2
SCHEMBL5421962 0.90 CDK2 (0.37) AXLTYRO3MERTKHRH3KCNH2
SCHEMBL5421960 0.90 CDK2 (0.37) AXLTYRO3MERTKHRH3KCNH2
SCHEMBL5425243 0.86 AXL (0.46) AXLTYRO3MERTKHRH3KCNH2
SCHEMBL5417742 0.86 AXL (0.46) AXLTYRO3MERTKHRH3KCNH2

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.