SCHEMBL2801562

SCHEMBL2801562

CC1(C)OB(c2ccc(CC(=O)N3CCS(O)(O)CC3)cc2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.44
LPL P06858 5/20 0.43
LIPG Q9Y5X9 5/20 0.43
F11 P03951 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.41
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
P4HB P07237 1/20 0.38

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
SCHEMBL2801560 0.90 ROCK1 (0.44) ROCK1LPLLIPGF11SMN1; SMN2
SCHEMBL2800935 0.87 MAPT (0.56) ROCK1LPLLIPGF11SMN1; SMN2
SCHEMBL578532 0.85 MAPT (0.56) ROCK1LPLLIPGF11SMN1; SMN2
SCHEMBL17619412 0.82 HSD11B1 (0.59) ROCK1LPLLIPGF11SMN1; SMN2
SCHEMBL2826100 0.82 ROCK1 (0.69) ROCK1LPLLIPGF11MAPT
SCHEMBL15879483 0.79 ROCK1 (0.68) ROCK1LPLLIPGF11F2
SCHEMBL22233270 0.78 ALDH1A1 (0.47) ROCK1LPLLIPGSMN1; SMN2MEN1
SCHEMBL9888312 0.75 SMN1; SMN2 (0.37) SMN1; SMN2MAPTNPC1HPGDMEN1
SCHEMBL2798346 0.74 SMN1; SMN2 (0.69) SMN1; SMN2MAPTNPC1HPGDMEN1
SCHEMBL4478572 0.73 LIPG (0.57) LPLLIPGF11F2PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US 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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 ROCK1 205/4885LPL 4859/4885LIPG 4230/4885

“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.