SCHEMBL6791398

SCHEMBL6791398

C#Cc1cc2c(cn1)CCc1c-2nn(CCNC(=O)OC(C)(C)C)c1C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCND3 P30281 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK6 Q00534 1/20 0.33
CPB2 Q96IY4 1/20 0.32
BRD4 O60885 3/20 0.32
TDP1 Q9NUW8 1/20 0.31
RET P07949 1/20 0.31
BUB1 O43683 1/20 0.31
GABRA5 P31644 2/20 0.30
GABRG2 P18507 1/20 0.30

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
SCHEMBL6800043 0.89 CYP11B1 (0.36) CYP11B1CYP11B2ADORA3ADORA2AKDM4E
SCHEMBL6794857 0.84 CYP11B1 (0.38) CYP11B1CYP11B2ADORA3ADORA2AKDM4E
Hydrochloric Acid SCHEMBL6796165 0.83 CCNA2 (0.35) MAPTCDK4CCNA2CDK2CCND3
SCHEMBL6794135 0.83 CDK4 (0.38) CYP11B1CYP11B2ADORA3ADORA2AMAPT
SCHEMBL6801024 0.82 CDK4 (0.37) CYP11B1CYP11B2ADORA3ADORA2AKDM4E
SCHEMBL6801021 0.82 CDK4 (0.37) CYP11B1CYP11B2ADORA3ADORA2AKDM4E
SCHEMBL6786821 0.81 SUV39H2 (0.39) MAPTBRD4STING1
SCHEMBL4164593 0.80 CCNA2 (0.38) CYP11B1CYP11B2ADORA3ADORA2AKDM4E
SCHEMBL6788148 0.80 ALDH1A1 (0.36) CYP11B1CYP11B2ADORA3ADORA2AKDM4E
SCHEMBL6788150 0.80 ALDH1A1 (0.36) CYP11B1CYP11B2ADORA3ADORA2AKDM4E

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 524/4885ADORA3 2377/4885

“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.