SCHEMBL2056438

SCHEMBL2056438

CCCCOc1nc(N)nc(N)c1N=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.67
CDK2 P24941 10/20 0.67
CCNA1 P78396 10/20 0.67
CDK1 P06493 9/20 0.67
CCNB1 P14635 9/20 0.67
MGMT P16455 3/20 0.58
MEN1 O00255 1/20 0.52
CCNB2 O95067 1/20 0.52
MTOR P42345 1/20 0.52
KMT2A Q03164 1/20 0.52
ATR Q13535 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52
PIN1 Q13526 1/20 0.48
PKM P14618 1/20 0.40
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
PRKCD Q05655 1/20 0.38
PAK1 Q13153 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38

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
SCHEMBL4454204 0.83 CDK2 (0.66) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL16463323 0.81 CDK2 (0.66) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL16465651 0.80 CDK2 (1.00) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL16463170 0.79 CDK2 (0.63) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL11699945 0.78 CDK1 (0.54) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL29308078 0.77 CDK1 (0.53) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL7988070 0.77 CDK2 (0.77) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL16464209 0.76 CDK2 (0.73) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL16464872 0.76 CDK2 (0.63) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL8080229 0.76 CDK1 (0.51) CCNA2CDK2CCNA1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730298-B1 SPECIFIC SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (CH) 2015-11-11 EP disclosed
US-8163479-B2 Specific substrates for O6-alkylguanine-DNA alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2012-04-24 US disclosed
US-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2007-10-18 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-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase AGT, AGXT, AGTR1 CCNA2 193/4885CDK2 354/4885CCNA1 141/4885

“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.