SCHEMBL10167597

SCHEMBL10167597

C=CCNc1nc(N)nc2c1ncn2CCOCP(=O)(N[C@@H](C)C(=O)O)N[C@@H](C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
CDK1 P06493 2/20 0.41
PRKACA P17612 1/20 0.41
CCNA2 P20248 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
CCNA1 P78396 1/20 0.41
HDAC1 Q13547 3/20 0.39
SLC22A6 Q4U2R8 2/20 0.38
FGFR1 P11362 1/20 0.38
SERPINA3 P01011 1/20 0.37
POLA1 P09884 2/20 0.37
POLG P54098 2/20 0.37
HDAC2 Q92769 2/20 0.35
HPRT1 P00492 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
ABCB11 O95342 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
SCHEMBL13809866 0.93 POLB (0.48) POLBCDK1PRKACACCNA2PRKACG
SCHEMBL2734863 0.92 POLB (0.46) POLBCDK1PRKACACCNA2PRKACG
SCHEMBL14621772 0.92 POLB (0.46) POLBCDK1PRKACACCNA2PRKACG
SCHEMBL12339262 0.91 POLB (0.46) POLBCDK1PRKACACCNA2PRKACG
SCHEMBL14621775 0.91 POLB (0.46) POLBCDK1PRKACACCNA2PRKACG
SCHEMBL14621990 0.90 POLB (0.45) POLBCDK1PRKACACCNA2PRKACG
SCHEMBL14621492 0.90 POLB (0.45) POLBCDK1PRKACACCNA2PRKACG
SCHEMBL14621500 0.89 POLB (0.44) POLBCDK1PRKACACCNA2PRKACG
SCHEMBL2734860 0.89 POLB (0.44) POLBCDK1PRKACACCNA2PRKACG
SCHEMBL12343771 0.88 POLB (0.42) POLBCDK1PRKACACCNA2PRKACG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268802-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-09-18 US disclosed
US-8088754-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-7553825-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2009-06-30 US disclosed
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-06-11 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-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885CDK1 111/4885PRKACA 4216/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885CDK1 111/4885PRKACA 4216/4885

“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.