SCHEMBL6792630

SCHEMBL6792630

CCOC(=O)c1c2c(nn1CCNC(=O)CCc1ccco1)-c1ccncc1CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.37
ROCK2 O75116 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
SLC26A6 Q9BXS9 2/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK6 Q00534 1/20 0.34
MAPT P10636 2/20 0.33
TSHR P16473 2/20 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
SCHEMBL6791962 0.95 ROCK2 (0.36) KDM4EALDH1A1HPGDHSD17B10GLA
Hydrochloric Acid SCHEMBL6789146 0.88 ROCK2 (0.37) KDM4EALDH1A1HPGDHSD17B10ROCK2
Hydrochloric Acid SCHEMBL6795135 0.83 ALDH1A1 (0.33) KDM4EALDH1A1HPGDHSD17B10ROCK2
Trifluoroacetic Acid SCHEMBL6795132 0.80 ALDH1A1 (0.34) KDM4EALDH1A1HPGDHSD17B10ROCK2
Trifluoroacetic Acid SCHEMBL6792793 0.80 CDK2 (0.37) KDM4EALDH1A1HPGDROCK2MAPK1
SCHEMBL6792783 0.80 CDK4 (0.35) KDM4EALDH1A1HPGDROCK2CDK4
SCHEMBL6794857 0.79 CYP11B1 (0.38) KDM4EROCK2CDK4CCNA2CDK2
Hydrochloric Acid SCHEMBL6793245 0.77 CCNA2 (0.37) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL6794272 0.76 CCNA2 (0.37) KDM4EHPGDMAPK1CDK4CCNA2
Hydrochloric Acid SCHEMBL6789049 0.75 CDK2 (0.37) KDM4EALDH1A1HPGDHSD17B10MAPK1

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 KDM4E 2167/4885ALDH1A1 4449/4885HPGD 814/4885

“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.