SCHEMBL6791744

SCHEMBL6791744

CCOC(=O)c1[nH]nc2c1CCc1c-2cnn1-c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.49
CDK2 P24941 3/20 0.49
CCNA1 P78396 3/20 0.49
ALDH1A1 P00352 7/20 0.49
RAB9A P51151 2/20 0.49
AURKA O14965 1/20 0.48
MAPK10 P53779 1/20 0.48
RIPK1 Q13546 1/20 0.48
CDC25B P30305 2/20 0.41
DUSP3 P51452 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.40
HPGD P15428 2/20 0.39
XPO1 O14980 1/20 0.39
MAPT P10636 1/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL6789733 0.92 AURKA (0.53) CCNA2CDK2CCNA1ALDH1A1RAB9A
SCHEMBL6793084 0.86 KDM4E (0.45) CCNA2CDK2CCNA1ALDH1A1RAB9A
SCHEMBL6792462 0.83 AURKA (0.51) CCNA2CDK2CCNA1ALDH1A1RAB9A
SCHEMBL6795506 0.78 AURKA (0.46) CCNA2CDK2CCNA1ALDH1A1RAB9A
SCHEMBL6793803 0.77 AURKA (0.51) CCNA2CDK2CCNA1ALDH1A1RAB9A
Acetic Acid SCHEMBL6790051 0.77 AURKA (0.45) CCNA2CDK2CCNA1ALDH1A1RAB9A
SCHEMBL6790049 0.77 AURKA (0.45) CCNA2CDK2CCNA1ALDH1A1RAB9A
SCHEMBL6793380 0.75 AURKA (0.48) ALDH1A1RAB9AAURKAMAPK10RIPK1
SCHEMBL6792950 0.74 CCNA2 (0.51) CCNA2CDK2CCNA1ALDH1A1RAB9A
SCHEMBL6632790 0.73 CCNA2 (0.45) CCNA2CDK2CCNA1ALDH1A1RAB9A

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.