SCHEMBL16259446

SCHEMBL16259446

CC(C)SCOc1nc(N)nc2c1ncn2C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 8/20 0.44
▸ CDK2 P24941 6/20 0.44
▸ CCNE1 P24864 5/20 0.44
▸ CCNB1 P14635 4/20 0.44
▸ SLC29A1 Q99808 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ HSP90AA1 P07900 2/20 0.34
▸ HSP90AB1 P08238 2/20 0.34
▸ PRKACA P17612 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ PRKACG P22612 1/20 0.32
▸ PRKACB P22694 1/20 0.32
▸ MAPK3 P27361 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CCNA1 P78396 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
SCHEMBL15887583 0.82 CDK1 (0.47) CDK1CDK2CCNE1CCNB1SLC29A1
SCHEMBL12522765 0.80 CDK1 (0.50) CDK1CDK2CCNE1CCNB1ADORA2A
SCHEMBL21562148 0.79 CDK1 (0.49) CDK1CDK2CCNE1CCNB1SLC29A1
SCHEMBL12522769 0.76 CDK1 (0.53) CDK1CDK2CCNE1CCNB1ADORA2A
SCHEMBL14087936 0.76 CDK1 (0.47) CDK1CDK2CCNE1CCNB1SLC29A1
SCHEMBL14619498 0.74 CDK2 (0.45) CDK1CDK2CCNE1CCNB1ADORA2A
SCHEMBL3209666 0.73 CDK1 (0.60) CDK1CDK2CCNE1CCNB1CCNA2
SCHEMBL20857246 0.73 CDK1 (0.49) CDK1CDK2CCNE1CCNB1ADORA2A
SCHEMBL22915720 0.71 CDK1 (0.48) CDK1CDK2CCNE1CCNB1ADORA2A
SCHEMBL24021902 0.70 CDK1 (0.53) CDK1CDK2CCNE1CCNB1SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718855-B2 Nucleosides and oligonucleotides for studies on reversal of cytotoxic and mutagenic damage of DNA and as diagnostics tools CHEMGENES CORPORATION (US) 2017-08-01 — — US disclosed
US-20140350234-A1 Nucleosides and Oligonucleotides for Studies on Reversal of Cytotoxic and Mutagenic Damage of DNA and as Diagnostics Tools CHEMGENES CORPORATION (US) 2014-11-27 — — 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-20140350234-A1 Nucleosides and Oligonucleotides for Studies on Reversal of Cytotoxic and Mutagenic Damage of DNA and as Diagnostics Tools UNG, OGG1, ADAR CDK1 2111/4885CDK2 2817/4885CCNE1 1818/4885

“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.

Send feedback