SCHEMBL6828200

SCHEMBL6828200

CCOC(=O)c1[nH]c(C)c(-c2ccc(C(=O)NCc3cccc(OC)c3)cc2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.57
ROCK1 Q13464 4/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
PRKACA P17612 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
PRKX P51817 1/20 0.57
PRKCQ Q04759 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
MMP13 P45452 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
MAPK14 Q16539 2/20 0.50
MAPK11 Q15759 1/20 0.49
AURKA O14965 1/20 0.48
ALOX15 P16050 1/20 0.47

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
SCHEMBL6828555 0.88 SMN1; SMN2 (0.70) SMN1; SMN2POLBLMNA
SCHEMBL6825631 0.87 LMNA (0.58) SMN1; SMN2POLBLMNA
SCHEMBL6830213 0.85 KDM4E (0.59) CYP3A4CYP2C9SMN1; SMN2LMNA
SCHEMBL6828221 0.83 LMNA (0.57) SMN1; SMN2POLBLMNAHPGDMAPK14
SCHEMBL6825524 0.81 HTT (0.66) ROCK2ROCK1SMN1; SMN2POLBLMNA
SCHEMBL6825636 0.81 EPHX2 (0.55) SMN1; SMN2POLBLMNA
SCHEMBL6825305 0.79 ALDH1A1 (0.52) SMN1; SMN2POLBLMNAHPGD
SCHEMBL13940425 0.76 MMP13 (0.90) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL6828519 0.75 RXFP1 (0.58) SMN1; SMN2LMNAHPGD
SCHEMBL6828203 0.74 MAPT (0.60) SMN1; SMN2LMNAHPGD

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-20040138269-A1 Substituted pyrroles as kinase inhibitors SUGEN, INC. 2004-07-15 US claimed
US-20040138269-A1 Substituted pyrroles as kinase inhibitors SUGEN, INC. 2004-07-15 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-20040138269-A1 Substituted pyrroles as kinase inhibitors PHKG1, PHKG2, MAP3K20 ROCK2 583/4885ROCK1 467/4885CYP3A4 2186/4885

“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.