SCHEMBL2734869

SCHEMBL2734869

C=CCNc1nc(N)nc2c1ncn2CCOCP(=O)(N[C@@H](Cc1ccccc1)C(=O)OCC)N[C@@H](Cc1ccccc1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINA3 P01011 1/20 0.48
POLB P06746 2/20 0.42
ADCY2 Q08462 1/20 0.42
HDAC1 Q13547 2/20 0.41
HPRT1 P00492 1/20 0.41
CDK1 P06493 3/20 0.39
CDK2 P24941 3/20 0.36
CCNA2 P20248 2/20 0.36
CCNA1 P78396 2/20 0.36
CACNA1B Q00975 1/20 0.36
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
TMIGD3 P0DMS9 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 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
SCHEMBL14621490 1.00 SERPINA3 (0.48) SERPINA3POLBADCY2HDAC1HPRT1
SCHEMBL14621983 0.94 SERPINA3 (0.46) SERPINA3POLBADCY2HDAC1HPRT1
SCHEMBL2734868 0.94 SERPINA3 (0.46) SERPINA3POLBADCY2HDAC1HPRT1
SCHEMBL12339269 0.94 SERPINA3 (0.48) SERPINA3POLBADCY2HDAC1HPRT1
SCHEMBL14625843 0.94 SERPINA3 (0.48) SERPINA3POLBADCY2HDAC1HPRT1
SCHEMBL14621774 0.93 SERPINA3 (0.45) SERPINA3POLBADCY2HDAC1HPRT1
SCHEMBL2734867 0.93 SERPINA3 (0.46) SERPINA3POLBADCY2HDAC1CDK1
SCHEMBL2734879 0.92 SERPINA3 (0.45) SERPINA3POLBADCY2HDAC1HPRT1
SCHEMBL14625132 0.92 SERPINA3 (0.45) SERPINA3POLBADCY2HDAC1HPRT1
SCHEMBL14621491 0.90 POLB (0.46) SERPINA3POLBHDAC1HPRT1CDK1

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 10 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-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-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-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 SERPINA3 1896/4885POLB 82/4885ADCY2 3304/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 SERPINA3 1896/4885POLB 82/4885ADCY2 3304/4885

“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.