SCHEMBL6793988

SCHEMBL6793988

COc1ccc(-n2nc(C(N)=O)c3c2-c2ccc(O)cc2CC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 4/20 0.62
▸ CDK2 P24941 4/20 0.62
▸ CCNA1 P78396 4/20 0.62
▸ RAD52 P43351 1/20 0.54
▸ F10 P00742 13/20 0.53
▸ AURKA O14965 1/20 0.52
▸ F2 P00734 3/20 0.52
▸ IKBKB O14920 1/20 0.51
▸ SLC29A1 Q99808 1/20 0.51

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
SCHEMBL6793005 0.86 CCNA2 (0.65) CCNA2CDK2CCNA1RAD52F10
SCHEMBL6791596 0.85 CCNA2 (0.58) CCNA2CDK2CCNA1AURKAIKBKB
SCHEMBL11865536 0.81 RAD52 (0.61) CCNA2CDK2CCNA1RAD52IKBKB
SCHEMBL11871559 0.80 RAD52 (0.62) CCNA2CDK2CCNA1RAD52IKBKB
SCHEMBL6792816 0.79 CCNA2 (0.55) CCNA2CDK2CCNA1AURKA
SCHEMBL23889148 0.79 CCNA2 (0.57) CCNA2CDK2CCNA1RAD52AURKA
SCHEMBL11868715 0.79 RAD52 (0.68) CCNA2CDK2CCNA1RAD52
SCHEMBL6195933 0.78 CCNA2 (0.55) CCNA2CDK2CCNA1AURKAIKBKB
SCHEMBL11867763 0.78 RAD52 (0.70) CCNA2CDK2CCNA1RAD52
SCHEMBL5227197 0.77 CCNA2 (1.00) CCNA2CDK2CCNA1IKBKB

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.

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