SCHEMBL5401358

SCHEMBL5401358

CCSc1c(O[C@H]2CC[C@@H](N)CC2)ccc2[nH]ncc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
AKT2 P31751 1/20 0.32
CDK2 P24941 2/20 0.31
FLT3 P36888 2/20 0.31
CCNA1 P78396 2/20 0.31
FEN1 P39748 1/20 0.31
ENPP1 P22413 1/20 0.31
IRAK1 P51617 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5417432 1.00 AXL (0.35) AXLTYRO3MERTKESR1ESR2
SCHEMBL5401364 1.00 AXL (0.35) AXLTYRO3MERTKESR1ESR2
Hydrochloric Acid SCHEMBL5419062 0.99 AXL (0.35) AXLTYRO3MERTKESR1ESR2
Hydrochloric Acid SCHEMBL5419057 0.99 AXL (0.35) AXLTYRO3MERTKESR1ESR2
SCHEMBL5409278 0.88 AKT2 (0.33) AXLTYRO3MERTKAKT2CDK2
SCHEMBL5409282 0.88 AKT2 (0.33) AXLTYRO3MERTKAKT2CDK2
SCHEMBL5409622 0.88 AKT2 (0.33) AXLTYRO3MERTKAKT2CDK2
Hydrochloric Acid SCHEMBL5404347 0.86 AKT2 (0.33) AXLTYRO3MERTKAKT2CDK2
Hydrochloric Acid SCHEMBL5404349 0.86 AKT2 (0.33) AXLTYRO3MERTKAKT2CDK2
SCHEMBL5416107 0.86 ULK1 (0.35) AXLTYRO3MERTKAKT2

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.