SCHEMBL6791787

SCHEMBL6791787

COC(=O)c1c2c(nn1CCCNC(=O)OC(C)(C)C)-c1cc(-c3cccc(C(F)(F)F)c3)c(OC)cc1CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.38
BRD4 O60885 2/20 0.35
TRPV4 Q9HBA0 1/20 0.35
DGAT2 Q96PD7 3/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
KCNK3 O14649 1/20 0.33
PDPK1 O15530 1/20 0.33
CCNB2 O95067 1/20 0.33
PRKCB P05771 1/20 0.33
CDK1 P06493 1/20 0.33
LYN P07948 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 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
SCHEMBL6800434 0.94 DRD2 (0.38) DRD2BRD4TRPV4DGAT2AKR1C3
SCHEMBL6791129 0.91 DRD2 (0.40) DRD2BRD4DGAT2CYP11B1CYP11B2
SCHEMBL6792668 0.90 DRD2 (0.39) DRD2BRD4PDPK1CCNB2PRKCB
SCHEMBL6790801 0.88 DRD2 (0.39) DRD2BRD4CYP11B1CYP11B2PDPK1
SCHEMBL6794415 0.88 DRD2 (0.38) DRD2BRD4CYP11B1CYP11B2KCNK3
SCHEMBL6793730 0.88 DRD2 (0.38) DRD2BRD4CYP11B1CYP11B2PDPK1
SCHEMBL6796413 0.88 DRD2 (0.38) DRD2BRD4CYP11B1CYP11B2PDPK1
SCHEMBL6786904 0.88 BRD4 (0.38) DRD2BRD4AKR1C3AKR1C2
SCHEMBL6794238 0.86 DRD2 (0.41) DRD2BRD4CYP11B1CYP11B2DYRK1A
SCHEMBL6794841 0.85 DRD2 (0.40) DRD2BRD4CYP11B1CYP11B2DRD3

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 DRD2 4396/4885BRD4 833/4885TRPV4 2033/4885

“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.