SCHEMBL5404601

SCHEMBL5404601

CN(C)[C@H]1CC[C@H](Oc2ccc3[nH]ncc3c2C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 5/20 0.37
AXL P30530 2/20 0.37
TRPA1 O75762 1/20 0.34
CDK2 P24941 2/20 0.34
FLT3 P36888 2/20 0.34
CCNA1 P78396 2/20 0.34
ENPP2 Q13822 7/20 0.33
LPAR1 Q92633 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CYP1A2 P05177 1/20 0.32
METAP2 P50579 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 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
SCHEMBL5404603 1.00 TIPARP (0.37) TIPARPAXLTRPA1CDK2FLT3
SCHEMBL5401832 0.90 AXL (0.35) TIPARPAXLTRPA1CDK2FLT3
SCHEMBL5401836 0.90 AXL (0.35) TIPARPAXLTRPA1CDK2FLT3
SCHEMBL5412607 0.85 TIPARP (0.40) TIPARPAXLTRPA1CDK2FLT3
SCHEMBL5412603 0.85 TIPARP (0.40) TIPARPAXLTRPA1CDK2FLT3
SCHEMBL5413095 0.85 TIPARP (0.40) TIPARPAXLTRPA1CDK2FLT3
SCHEMBL5410782 0.84 AXL (0.42) TIPARPAXLIRAK4ESR1ESR2
SCHEMBL5410779 0.84 AXL (0.42) TIPARPAXLIRAK4ESR1ESR2
SCHEMBL5414953 0.84 AXL (0.42) TIPARPAXLIRAK4ESR1ESR2
SCHEMBL5425159 0.81 BRD4 (0.39) AXLFLT3IRAK4TYRO3MERTK

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 TIPARP 1305/4885AXL 1805/4885TRPA1 4808/4885

“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.