SCHEMBL5996987

SCHEMBL5996987

Cc1cccc(C)c1C(=O)Nc1cnc(Nc2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.49
▸ CDK2 P24941 2/20 0.49
▸ CDK9 P50750 2/20 0.49
▸ CCND3 P30281 2/20 0.49
▸ CCNK O75909 1/20 0.49
▸ CDK6 Q00534 1/20 0.49
▸ ATM Q13315 1/20 0.47
▸ CCNT1 O60563 1/20 0.47
▸ CCNA1 P78396 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ RIN1 Q13671 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ LCK P06239 3/20 0.44

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
SCHEMBL5997417 0.86 MAPK14 (0.58) CDK2CDK9CCNT1ABL1EPHX2
SCHEMBL5996199 0.84 SRC (0.54) CCNA2CDK2LCKMAPK14
SCHEMBL5999140 0.81 MEN1 (0.53) CCNA2CDK2CDK9CCND3CCNK
SCHEMBL5444021 0.79 MEN1 (0.50) CCNA2CDK2CDK9CCND3CCNK
SCHEMBL5995904 0.78 MAPT (0.47) CCNA2CDK2CDK9CCND3CCNK
SCHEMBL5995627 0.78 MAPT (0.51) CCNA2CDK2CDK9CCND3CCNK
SCHEMBL5997968 0.76 MAPK14 (0.74) CCNA2CDK2CDK9CDK6CCNT1
SCHEMBL15524783 0.73 MEN1 (0.51) CCNA2CDK2CDK9CCND3CCNK
SCHEMBL5997421 0.72 SRC (0.57) ABL1EPHX2NPSR1LCKMAPK14
SCHEMBL29188760 0.72 KMT2A (0.70) MEN1KMT2ASMN1; SMN2ABL1RIN1

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-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 — — 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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK CCNA2 505/4885CDK2 14/4885CDK9 36/4885

“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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