SCHEMBL2734872

SCHEMBL2734872

C=CCNc1nc(N)nc2c1ncn2CCOCP(=O)(N[C@@H](C)C(=O)OCC)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
BTN3A1 O00481 6/20 0.41
HDAC1 Q13547 3/20 0.39
SERPINA3 P01011 1/20 0.38
CDK1 P06493 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
PRKACA P17612 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
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CACNA1B Q00975 1/20 0.33

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
SCHEMBL14621938 1.00 POLB (0.41) POLBBTN3A1HDAC1SERPINA3CDK1
SCHEMBL14621731 0.96 POLB (0.40) POLBBTN3A1HDAC1SERPINA3CDK1
SCHEMBL14621992 0.96 POLB (0.40) POLBBTN3A1HDAC1SERPINA3CDK1
SCHEMBL2734871 0.95 HDAC1 (0.41) POLBBTN3A1HDAC1SERPINA3CDK1
SCHEMBL14621994 0.95 HDAC1 (0.41) POLBBTN3A1HDAC1SERPINA3CDK1
SCHEMBL12339261 0.94 SERPINA3 (0.44) POLBBTN3A1HDAC1SERPINA3CDK1
SCHEMBL12343771 0.94 POLB (0.42) POLBHDAC1SERPINA3CDK1CCNA2
SCHEMBL2734873 0.93 HDAC1 (0.41) POLBBTN3A1HDAC1SERPINA3HDAC2
SCHEMBL14621501 0.93 HDAC1 (0.41) POLBBTN3A1HDAC1SERPINA3HDAC2
SCHEMBL14625132 0.90 SERPINA3 (0.45) POLBBTN3A1HDAC1SERPINA3CDK1

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 8 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
EP-2204374-A1 Nucleoside phosphonates and analogs thereof for the treatment of HPV-infections GILEAD SCIENCES, INC. (US) 2010-07-07 EP 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-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 82/4885BTN3A1 1044/4885HDAC1 1229/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885BTN3A1 1044/4885HDAC1 1229/4885

“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.