SCHEMBL6797679

SCHEMBL6797679

CCOC(=O)c1[nH]nc2c1ccc1[nH]ncc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.63
CDK2 P24941 1/20 0.63
CCNA1 P78396 1/20 0.63
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
AURKA O14965 1/20 0.42
MAPK10 P53779 1/20 0.42
RIPK1 Q13546 1/20 0.42
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.39
ALOX15 P16050 4/20 0.38
DHODH Q02127 1/20 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
Hydrochloric Acid SCHEMBL6797884 0.77 CDK2 (0.73) CCNA2CDK2CCNA1ALDH1A1NPC1
SCHEMBL6788709 0.75 CA12 (0.43) KDM4EALDH1A1MEN1KMT2AAURKA
SCHEMBL6787887 0.75 MAPT (0.47) KDM4EALDH1A1AURKAMAPK10RIPK1
SCHEMBL27242628 0.73 KDM4E (0.48) KDM4EALDH1A1KMT2AAURKAMAPK10
SCHEMBL29705922 0.73 AURKA (0.46) CDK2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19100359 0.72 METTL3 (0.58) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL31725398 0.72 MEN1 (0.49) KDM4EMEN1KMT2AAURKAMAPK10
SCHEMBL4155814 0.72 ALDH1A1 (0.50) CDK2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4816461 0.72 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6788652 0.71 MAPT (0.40) CCNA2CDK2CCNA1KDM4EALDH1A1

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 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.