SCHEMBL10137834

SCHEMBL10137834

CC(C)n1cc(I)c(N)nc1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
ADORA2A P29274 3/20 0.32
ADORA1 P30542 3/20 0.32
ADORA2B P29275 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL12206794 0.79 ADORA2A (0.36) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL24538994 0.78 TET2 (0.40) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL18287861 0.78 CDK1 (0.34) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL10137844 0.78 ADORA2A (0.38) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL22327308 0.76 CDK1 (0.33) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL21626846 0.76 TET2 (0.31)
SCHEMBL22815034 0.75 CDK1 (0.33) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL19310471 0.75 CDK1 (0.33) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL13351590 0.75 HASPIN (0.30)
SCHEMBL22047273 0.74 CDK1 (0.32) CDK1CCNB1CCNE1CDK2ADORA2A

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-9173893-B2 Purine nucleoside monophosphate prodrugs for treatment of cancer and viral infections COCRYSTAL PHARMA, INC. (US) 2015-11-03 US disclosed
US-20140066395-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS EMORY UNIVERSITY (US) 2014-03-06 US disclosed
US-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS EMORY UNIVERSITY (US) 2012-02-16 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-20140066395-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS PNP, HAVCR2, TYMP CDK1 1086/4885CCNB1 1560/4885CCNE1 2564/4885
US-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS PNP, HAVCR2, TYMP CDK1 1086/4885CCNB1 1560/4885CCNE1 2564/4885

“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.