SCHEMBL6794500

SCHEMBL6794500

CC(C)(C)OC(=O)NCCCn1nc2c(c1C#N)CCc1cnccc1-2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP3A4 P08684 1/20 0.37
DRD2 P14416 5/20 0.35
GPR119 Q8TDV5 2/20 0.34
CPB2 Q96IY4 3/20 0.34
FPR2 P25090 1/20 0.34
LATS1 O95835 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
RET P07949 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
KCNH2 Q12809 1/20 0.33
DYRK1A Q13627 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
SCHEMBL6793729 0.85 CYP3A4 (0.38) CYP11B1CYP11B2CYP3A4DRD2LATS1
SCHEMBL6787398 0.85 CYP3A4 (0.38) CYP11B1CYP11B2CYP3A4DRD2LATS1
SCHEMBL6793980 0.83 LATS1 (0.37) CYP11B1CYP11B2CYP3A4DRD2CPB2
SCHEMBL6793842 0.81 DRD2 (0.35) CYP11B1CYP11B2CYP3A4DRD2LATS1
SCHEMBL6792392 0.80 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4DRD2LATS1
Lithium Ion SCHEMBL6792381 0.79 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4DRD2LATS1
SCHEMBL6791655 0.78 CYP3A4 (0.38) CYP11B1CYP11B2CYP3A4DRD2LATS1
SCHEMBL6794608 0.78 DRD2 (0.35) CYP11B1CYP11B2CYP3A4DRD2LATS1
SCHEMBL6794857 0.78 CYP11B1 (0.38) CYP11B1CYP11B2CYP3A4DRD2CPB2
Hydrochloric Acid SCHEMBL6795547 0.76 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 CYP11B1 785/4885CYP11B2 524/4885CYP3A4 2152/4885

“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.