SCHEMBL18458052

SCHEMBL18458052

CCC(C)n1cnc2c(=S)[nH]c(N)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.52
ADORA2B P29275 3/20 0.52
ADORA1 P30542 3/20 0.52
GAA P10253 1/20 0.39
CDK1 P06493 8/20 0.39
CDK2 P24941 8/20 0.39
CCNB1 P14635 6/20 0.39
CCNE1 P24864 6/20 0.39
KMT2A Q03164 2/20 0.39
HPRT1 P00492 3/20 0.38
PRKACA P17612 1/20 0.35
CCNA2 P20248 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
MAPK3 P27361 1/20 0.35
MAPK1 P28482 1/20 0.35
CCNA1 P78396 1/20 0.35
MEN1 O00255 1/20 0.35
SLC29A1 Q99808 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL27374373 1.00 ADORA2A (0.52) ADORA2AADORA2BADORA1GAACDK1
SCHEMBL27375698 0.88 ADORA2A (0.39) ADORA2AADORA2BADORA1GAACDK1
SCHEMBL27374918 0.88 CDK1 (0.40) ADORA2AADORA2BADORA1GAACDK1
SCHEMBL16769795 0.85 CDK2 (0.54) ADORA2AADORA2BADORA1GAACDK1
SCHEMBL27374408 0.85 HPRT1 (0.40) ADORA2AADORA2BADORA1GAACDK1
SCHEMBL22381492 0.84 CDK1 (0.42) ADORA2AADORA2BADORA1GAACDK1
SCHEMBL14644457 0.83 HPRT1 (0.54) ADORA2AADORA2BADORA1KMT2AHPRT1
SCHEMBL18822254 0.83 HPRT1 (0.54) ADORA2AADORA2BADORA1KMT2AHPRT1
SCHEMBL27375754 0.81 CDK1 (0.39) ADORA2AADORA2BADORA1GAACDK1
SCHEMBL27374409 0.78 GAA (0.38) GAACDK1CDK2CCNB1CCNE1

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-10030044-B2 Nucleotides for the treatment of liver cancer IDENIX PHARMACEUTICALS LLC (US) 2018-07-24 US disclosed
US-20170029456-A1 NUCLEOTIDES FOR THE TREATMENT OF LIVER CANCER IDENIX PHARMACEUTICALS LLC (US) 2017-02-02 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-20170029456-A1 NUCLEOTIDES FOR THE TREATMENT OF LIVER CANCER RNMT, NUDT1, NTPCR ADORA2A 14/4885ADORA2B 23/4885ADORA1 6/4885
US-10030044-B2 Nucleotides for the treatment of liver cancer RNMT, NUDT1, NTPCR ADORA2A 14/4885ADORA2B 23/4885ADORA1 6/4885

“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.