SCHEMBL6789733

SCHEMBL6789733

CCOC(=O)c1[nH]nc2c1CCc1c-2cnn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.53
MAPK10 P53779 1/20 0.53
RIPK1 Q13546 1/20 0.53
ALDH1A1 P00352 10/20 0.49
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 3/20 0.44
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 3/20 0.41
TP53 P04637 2/20 0.41
ALOX12 P18054 2/20 0.41
PDE4D Q08499 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6791744 0.92 CCNA2 (0.49) AURKAMAPK10RIPK1ALDH1A1HPGD
SCHEMBL6793803 0.83 AURKA (0.51) AURKAMAPK10RIPK1ALDH1A1HPGD
SCHEMBL6792462 0.83 AURKA (0.51) AURKAMAPK10RIPK1ALDH1A1HPGD
SCHEMBL6792950 0.83 CCNA2 (0.51) AURKAALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL6793380 0.81 AURKA (0.48) AURKAMAPK10RIPK1ALDH1A1HPGD
SCHEMBL6793084 0.80 KDM4E (0.45) ALDH1A1HPGDSMN1; SMN2HSD17B10RAB9A
Acetic Acid SCHEMBL6790051 0.79 AURKA (0.45) AURKAMAPK10RIPK1ALDH1A1HPGD
SCHEMBL6795506 0.78 AURKA (0.46) AURKAMAPK10RIPK1ALDH1A1HPGD
SCHEMBL6790049 0.77 AURKA (0.45) AURKAMAPK10RIPK1ALDH1A1HPGD
SCHEMBL6632790 0.73 CCNA2 (0.45) ALDH1A1HPGDSMN1; SMN2HSD17B10HTT

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 AURKA 341/4885MAPK10 108/4885RIPK1 549/4885

“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.