SCHEMBL5425243

SCHEMBL5425243

Cc1c(O[C@H]2CC[C@@H](N3CCCC3)CC2)ccc2[nH]ncc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.46
TYRO3 Q06418 1/20 0.46
MERTK Q12866 1/20 0.46
HRH3 Q9Y5N1 11/20 0.40
KCNH2 Q12809 5/20 0.40
SMYD2 Q9NRG4 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
ACVR1 Q04771 1/20 0.33
LRRK2 Q5S007 2/20 0.33
ABL1 P00519 1/20 0.32
ROCK2 O75116 1/20 0.32
ARHGDIA P52565 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL5417735 1.00 AXL (0.46) AXLTYRO3MERTKHRH3KCNH2
SCHEMBL5417742 1.00 AXL (0.46) AXLTYRO3MERTKHRH3KCNH2
SCHEMBL5412679 0.90 HRH3 (0.47) AXLTYRO3MERTKHRH3KCNH2
SCHEMBL5422019 0.90 HRH3 (0.45) AXLTYRO3MERTKHRH3KCNH2
Hydrochloric Acid SCHEMBL5407831 0.89 IRAK4 (0.45) AXLTYRO3MERTKHRH3KCNH2
SCHEMBL5410001 0.86 AXL (0.38) AXLTYRO3MERTKHRH3KCNH2
SCHEMBL5410008 0.86 AXL (0.38) AXLTYRO3MERTKHRH3KCNH2
Hydrochloric Acid SCHEMBL5409122 0.86 AXL (0.38) AXLTYRO3MERTKHRH3KCNH2
SCHEMBL5410006 0.86 AXL (0.38) AXLTYRO3MERTKHRH3KCNH2
Hydrochloric Acid SCHEMBL5409125 0.86 AXL (0.38) 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.