SCHEMBL12652113

SCHEMBL12652113

Cc1nc(N)[nH]c(=O)c1N=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.66
CDK4 P11802 1/20 0.66
CDK2 P24941 1/20 0.66
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
PABPC1 P11940 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.41
PNP P00491 1/20 0.41
CASP6 P55212 1/20 0.40

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
SCHEMBL13513904 0.79 NPSR1 (0.46) CDK1CDK4CDK2KDM4EMEN1
SCHEMBL28538636 0.79 CDK1 (1.00) CDK1CDK4CDK2KDM4EMEN1
SCHEMBL14080318 0.77 CDK1 (0.43) CDK1CDK4CDK2KDM4EMEN1
SCHEMBL4572376 0.76 CDK1 (0.66) CDK1CDK4CDK2KDM4EMEN1
SCHEMBL13833302 0.76 CDK1 (0.66) CDK1CDK4CDK2KDM4EMEN1
SCHEMBL12820920 0.76 KDM4E (0.60) CDK1CDK4CDK2KDM4EMEN1
SCHEMBL25057438 0.75 NPSR1 (0.46) CDK1CDK4CDK2KDM4EMEN1
SCHEMBL18519949 0.75 NPSR1 (0.43) CDK1CDK4CDK2KDM4EMEN1
SCHEMBL18519988 0.74 NPSR1 (0.45) CDK1CDK4CDK2KDM4EMEN1
SCHEMBL718210 0.74 NPSR1 (0.52) CDK1CDK4CDK2MAPTKMT2A

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
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
US-20100279974-A1 Nucleosides With Non-Natural Bases as Anti-Viral Agents IDENIX PHARMACEUTICALS, INC. 2010-11-04 US disclosed
US-7405297-B2 Process for preparing inhibitors of nucleoside metabolism INDUSTRIAL RESEARCH LIMITED (NZ) 2008-07-29 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 (2 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 CDK1 232/4885CDK4 593/4885CDK2 677/4885
US-20100279974-A1 Nucleosides With Non-Natural Bases as Anti-Viral Agents PNP, NSUN2, NME2 CDK1 3033/4885CDK4 4066/4885CDK2 3421/4885

“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.