SCHEMBL5409381

SCHEMBL5409381

Cc1c(OC2CCC(NC(=O)C3CCCC3)CC2)ccc2[nH]ncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
MAP4K1 Q92918 3/20 0.40
AXL P30530 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
ABL1 P00519 1/20 0.38
CDK2 P24941 3/20 0.38
CCNA2 P20248 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
CCNB2 O95067 1/20 0.37
CCNE2 O96020 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
SCHEMBL5415009 1.00 POLB (0.40) POLBMAP4K1AXLTYRO3MERTK
SCHEMBL5409374 1.00 POLB (0.40) POLBMAP4K1AXLTYRO3MERTK
SCHEMBL5413500 0.96 MAP4K1 (0.43) POLBMAP4K1AXLTYRO3MERTK
SCHEMBL5407547 0.96 MAP4K1 (0.43) POLBMAP4K1AXLTYRO3MERTK
SCHEMBL5407543 0.96 MAP4K1 (0.43) POLBMAP4K1AXLTYRO3MERTK
SCHEMBL5410769 0.89 POLB (0.40) POLBMAP4K1TRPV1ABL1
SCHEMBL5410771 0.89 POLB (0.40) POLBMAP4K1TRPV1ABL1
SCHEMBL5410765 0.89 POLB (0.40) POLBMAP4K1TRPV1ABL1
SCHEMBL5405682 0.87 CCNA2 (0.43) MAP4K1AXLTYRO3MERTKTRPV1
SCHEMBL5416473 0.87 CCNA2 (0.43) MAP4K1AXLTYRO3MERTKTRPV1

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 POLB 3765/4885MAP4K1 109/4885AXL 1805/4885

“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.