SCHEMBL6578334

SCHEMBL6578334

CCn1cnc2c(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)nc(NC3CCCCC3C(N)=O)nc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 15/20 0.57
CLK1 P49759 3/20 0.50
CLK2 P49760 3/20 0.50
CCNB1 P14635 3/20 0.50
PRKCA P17252 3/20 0.50
CLK4 Q9HAZ1 2/20 0.50
EGFR P00533 2/20 0.50
CCNE1 P24864 2/20 0.50
CDK2 P24941 2/20 0.50
NPC1 O15118 1/20 0.50
CCNT1 O60563 1/20 0.50
CDK4 P11802 1/20 0.50
EIF2AK2 P19525 1/20 0.50
CCNA2 P20248 1/20 0.50
CCND1 P24385 1/20 0.50
CCND3 P30281 1/20 0.50
MTOR P42345 1/20 0.50
CDK7 P50613 1/20 0.50
CDK9 P50750 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL6578331 1.00 CDK1 (0.57) CDK1CLK1CLK2CCNB1PRKCA
SCHEMBL6574812 0.91 CDK1 (0.52) CDK1CLK1CLK2CCNB1PRKCA
SCHEMBL6574817 0.91 CDK1 (0.52) CDK1CLK1CLK2CCNB1PRKCA
SCHEMBL6574809 0.91 CDK1 (0.52) CDK1CLK1CLK2CCNB1PRKCA
SCHEMBL6577116 0.88 CDK1 (0.57) CDK1CLK1CLK2CCNB1PRKCA
SCHEMBL6577121 0.88 CDK1 (0.57) CDK1CLK1CLK2CCNB1PRKCA
SCHEMBL6574806 0.85 CDK1 (0.55) CDK1CLK1CLK2CCNB1PRKCA
SCHEMBL6576949 0.85 CDK1 (0.55) CDK1CLK1CLK2CCNB1PRKCA
SCHEMBL6574808 0.85 CDK1 (0.55) CDK1CLK1CLK2CCNB1PRKCA
SCHEMBL6576953 0.85 CDK1 (0.55) CDK1CLK1CLK2CCNB1PRKCA

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 2/4885CLK1 520/4885CLK2 310/4885

“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.