SCHEMBL6791745

SCHEMBL6791745

CCOC(=O)c1[nH]nc2c1CCc1[nH]ncc1-2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.64
CDK2 P24941 10/20 0.64
CCNA1 P78396 10/20 0.64
AURKA O14965 1/20 0.54
MAPK10 P53779 1/20 0.54
RIPK1 Q13546 1/20 0.54
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.38
CDC25B P30305 1/20 0.38
DUSP3 P51452 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALPL P05186 1/20 0.38
CLK1 P49759 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6792462 0.80 AURKA (0.51) CCNA2CDK2CCNA1AURKAMAPK10
SCHEMBL6788636 0.79 CCNA2 (1.00) CCNA2CDK2CCNA1AURKA
Hydrochloric Acid SCHEMBL6792455 0.79 CCNA2 (0.74) CCNA2CDK2CCNA1HSD17B10ALDH1A1
SCHEMBL5230280 0.78 CCNA2 (0.57) CCNA2CDK2CCNA1AURKAMAPK10
SCHEMBL6794908 0.77 AURKA (0.54) CCNA2CDK2CCNA1AURKAMAPK10
Hydrochloric Acid SCHEMBL6799180 0.77 CCNA2 (0.67) CCNA2CDK2CCNA1HSD17B10ALDH1A1
SCHEMBL5230731 0.76 CCNA2 (0.73) CCNA2CDK2CCNA1
SCHEMBL425910 0.75 AURKA (0.49) CCNA2CDK2CCNA1AURKAMAPK10
SCHEMBL6795341 0.75 KMT2A (0.51) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6788929 0.75 MEN1 (0.54) AURKAMAPK10RIPK1HSD17B10ALDH1A1

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

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 CCNA2 270/4885CDK2 29/4885CCNA1 527/4885

“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.