SCHEMBL6576013

SCHEMBL6576013

CCn1cnc2c(Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3)nc(NC3CCC(O)CC3)nc21

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.66
PRKCA P17252 2/20 0.55
SRC P12931 1/20 0.51
CCNB2 O95067 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
PDGFRA P16234 5/20 0.49
CCNE1 P24864 5/20 0.49
CDK2 P24941 5/20 0.49
EGFR P00533 1/20 0.49

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
SCHEMBL6576025 1.00 CDK1 (0.66) CDK1PRKCASRCCCNB2CCNB1
SCHEMBL6577037 0.93 CDK1 (0.69) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6577043 0.93 CDK1 (0.69) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6574699 0.92 CDK1 (0.79) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6574697 0.92 CDK1 (0.79) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6574832 0.91 CDK1 (0.70) CDK1PRKCASRCCCNB2CCNB1
SCHEMBL6576046 0.91 CDK1 (0.70) CDK1PRKCASRCCCNB2CCNB1
SCHEMBL6574829 0.91 CDK1 (0.70) CDK1PRKCASRCCCNB2CCNB1
SCHEMBL6576038 0.91 CDK1 (0.70) CDK1PRKCASRCCCNB2CCNB1
SCHEMBL6578385 0.90 CDK1 (0.80) CDK1PRKCASRCCCNB2CCNB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767906-B2 INHIBIT P34CDC2/CYCLIN BCDC13 KINASE AND PROTEIN TYROSINE KINASE PP60C-SRC AND CAN BE USED FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES, FOR EXAMPLE CHEMOTHERAPY OF TUMOURS OR OSTEOPOROSIS. NOVARTIS AG (CH) 2004-07-27 US claimed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP claimed
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments NOVARTIS AG (CH) 2002-02-07 US claimed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP 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-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments CDK14, CDK1, CCNB1 CDK1 2/4885PRKCA 365/4885SRC 54/4885

“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.