SCHEMBL5408010

SCHEMBL5408010

Cc1c(OC2CCCN(C)C2)ccc2[nH]ncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ROCK2 O75116 1/20 0.38
CCR2 P41597 1/20 0.38
ROCK1 Q13464 1/20 0.38
PARP1 P09874 1/20 0.37
IL1B P01584 1/20 0.37
NLRP3 Q96P20 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ATM Q13315 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
SCHEMBL5408718 0.87 AXL (0.44) AXLTYRO3MERTKROCK2CCR2
SCHEMBL5415149 0.85 ROCK2 (0.48) AXLTYRO3MERTKROCK2CCR2
SCHEMBL5413261 0.85 KDM2B (0.39) AXLTYRO3MERTKROCK2CCR2
SCHEMBL5419614 0.85 AXL (0.37) AXLTYRO3MERTKROCK2CCR2
SCHEMBL5416983 0.85 ROCK2 (0.44) AXLTYRO3MERTKROCK2CCR2
SCHEMBL5414975 0.85 KDM2B (0.39) AXLTYRO3MERTKROCK2CCR2
SCHEMBL5423953 0.84 ROCK2 (0.42) AXLTYRO3MERTKROCK2CCR2
SCHEMBL5409121 0.83 CYP4A11 (0.51)
SCHEMBL5413038 0.80 HRH3 (0.40) AXLTYRO3MERTK
SCHEMBL5413363 0.80 AXL (0.42) AXLTYRO3MERTKROCK2CCR2

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.