SCHEMBL6576966

SCHEMBL6576966

CCn1cnc2c(Nc3ccc([N+](=O)[O-])cc3)nc(N[C@H]3CC[C@H](O)CC3)nc21

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.75
SRC P12931 1/20 0.59
PRKCA P17252 1/20 0.54
PDGFRA P16234 5/20 0.53
CCNE1 P24864 5/20 0.53
CDK2 P24941 5/20 0.53
CCNB2 O95067 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNB3 Q8WWL7 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
SCHEMBL6576969 1.00 CDK1 (0.75) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6576084 0.90 CDK1 (0.74) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL6576089 0.90 CDK1 (0.74) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL5840463 0.87 CDK1 (0.84) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5840468 0.87 CDK1 (0.84) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5840337 0.86 CDK1 (1.00) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5840330 0.86 CDK1 (1.00) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6574867 0.85 CDK1 (0.74) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6574890 0.85 CDK1 (0.74) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6576173 0.85 CDK1 (0.74) CDK1SRCPRKCAPDGFRACCNE1

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 5 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 disclosed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP disclosed
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments NOVARTIS AG (CH) 2002-02-07 US disclosed
EP-1153024-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2001-11-14 EP disclosed
WO-2000049018-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-08-24 WO 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 2/4885SRC 54/4885PRKCA 365/4885

“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.