SCHEMBL6793084

SCHEMBL6793084

Cc1ccc(-n2ncc3c2CCc2c-3n[nH]c2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45
KMT2A Q03164 3/20 0.45
ALPL P05186 2/20 0.45
MEN1 O00255 1/20 0.45
CLK1 P49759 1/20 0.45
CCNA2 P20248 5/20 0.41
CDK2 P24941 5/20 0.41
CCNA1 P78396 5/20 0.41
ALDH1A1 P00352 4/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
RAB9A P51151 8/20 0.37
NPC1 O15118 7/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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 0.86 CCNA2 (0.49) HSD17B10CCNA2CDK2CCNA1ALDH1A1
SCHEMBL6792950 0.81 CCNA2 (0.51) KDM4EHSD17B10KMT2AALPLMEN1
SCHEMBL6789733 0.80 AURKA (0.53) KDM4EHSD17B10KMT2ACCNA2CDK2
SCHEMBL6788047 0.73 KDM4E (0.42) KDM4EHSD17B10KMT2AALPLMEN1
SCHEMBL2614377 0.72 MEN1 (0.71) KDM4EHSD17B10KMT2AALPLMEN1
SCHEMBL6790531 0.69 CCNA2 (0.60) KDM4EHSD17B10KMT2AALPLMEN1
SCHEMBL6632790 0.67 CCNA2 (0.45) KDM4EHSD17B10KMT2ACCNA2CDK2
SCHEMBL6632616 0.67 XDH (0.43) CCNA2CDK2CCNA1RAB9ANPC1
SCHEMBL6792462 0.67 AURKA (0.51) KDM4EHSD17B10KMT2AALPLMEN1
SCHEMBL6787408 0.65 MEN1 (0.58) KDM4EHSD17B10KMT2AALPLMEN1

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 KDM4E 2167/4885HSD17B10 2776/4885KMT2A 1257/4885

“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.