SCHEMBL2734864

SCHEMBL2734864

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.43
HDAC1 Q13547 3/20 0.41
FGFR1 P11362 3/20 0.37
CDK1 P06493 1/20 0.35
PRKACA P17612 1/20 0.35
CCNA2 P20248 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK3 P27361 1/20 0.35
MAPK1 P28482 1/20 0.35
CCNA1 P78396 1/20 0.35
SERPINA3 P01011 1/20 0.35
SLC22A6 Q4U2R8 2/20 0.35
POLA1 P09884 2/20 0.34
POLG P54098 2/20 0.34
ABCB11 O95342 1/20 0.34
FAP Q12884 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL14625308 1.00 POLB (0.43) POLBHDAC1FGFR1CDK1PRKACA
SCHEMBL14622512 0.95 POLB (0.44) POLBHDAC1FGFR1CDK1PRKACA
SCHEMBL14621491 0.94 POLB (0.46) POLBHDAC1FGFR1CDK1PRKACA
SCHEMBL14621500 0.92 POLB (0.44) POLBHDAC1FGFR1CDK1PRKACA
SCHEMBL2734860 0.92 POLB (0.44) POLBHDAC1FGFR1CDK1PRKACA
SCHEMBL14621760 0.91 POLB (0.44) POLBHDAC1FGFR1CDK1PRKACA
SCHEMBL14621983 0.91 SERPINA3 (0.46) POLBHDAC1CDK1CCNA2CDK2
SCHEMBL2734868 0.91 SERPINA3 (0.46) POLBHDAC1CDK1CCNA2CDK2
SCHEMBL14622517 0.90 POLB (0.40) POLBHDAC1FGFR1CDK1PRKACA
SCHEMBL14621774 0.90 SERPINA3 (0.45) POLBHDAC1FGFR1CDK1CCNA2

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 7 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
WO-2007002912-A2 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO disclosed
WO-2007002808-A1 ANTI-NONMELANOMA CARCINOMA COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO 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 82/4885HDAC1 1229/4885FGFR1 1503/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885HDAC1 1229/4885FGFR1 1503/4885

“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.