SCHEMBL6793729

SCHEMBL6793729

CSc1c2c(nn1CCCNC(=O)OC(C)(C)C)-c1ccncc1CC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
LATS1 O95835 2/20 0.36
DRD2 P14416 6/20 0.36
BRD4 O60885 1/20 0.36
TTK P33981 1/20 0.34
HTT P42858 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
CNR2 P34972 1/20 0.34
DYRK1A Q13627 1/20 0.34
MALT1 Q9UDY8 1/20 0.33

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
SCHEMBL6787398 0.86 CYP3A4 (0.38) CYP3A4CYP11B1CYP11B2LATS1DRD2
SCHEMBL6794500 0.85 CYP11B1 (0.38) CYP3A4CYP11B1CYP11B2LATS1DRD2
SCHEMBL6793980 0.84 LATS1 (0.37) CYP3A4CYP11B1CYP11B2LATS1DRD2
SCHEMBL6793842 0.82 DRD2 (0.35) CYP3A4CYP11B1CYP11B2LATS1DRD2
SCHEMBL6792392 0.80 CYP11B1 (0.39) CYP3A4CYP11B1CYP11B2LATS1DRD2
Lithium Ion SCHEMBL6792381 0.80 CYP11B1 (0.39) CYP3A4CYP11B1CYP11B2LATS1DRD2
SCHEMBL6791655 0.79 CYP3A4 (0.38) CYP3A4CYP11B1CYP11B2LATS1DRD2
SCHEMBL6794608 0.78 DRD2 (0.35) CYP3A4CYP11B1CYP11B2LATS1DRD2
SCHEMBL6794857 0.78 CYP11B1 (0.38) CYP3A4CYP11B1CYP11B2LATS1DRD2
Hydrochloric Acid SCHEMBL6799023 0.77 PDPK1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 CYP3A4 2152/4885CYP11B1 785/4885CYP11B2 524/4885

“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.