SCHEMBL2734871

SCHEMBL2734871

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
POLB P06746 2/20 0.39
SERPINA3 P01011 1/20 0.37
BTN3A1 O00481 4/20 0.36
TLR7 Q9NYK1 1/20 0.34
FGFR1 P11362 2/20 0.33
CDK1 P06493 2/20 0.33
PRKACA P17612 1/20 0.33
CCNA2 P20248 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
CCNA1 P78396 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
SCHEMBL14621994 1.00 HDAC1 (0.41) HDAC1POLBSERPINA3BTN3A1TLR7
SCHEMBL2734873 0.97 HDAC1 (0.41) HDAC1POLBSERPINA3BTN3A1TLR7
SCHEMBL14621501 0.97 HDAC1 (0.41) HDAC1POLBSERPINA3BTN3A1TLR7
SCHEMBL14621992 0.96 POLB (0.40) HDAC1POLBSERPINA3BTN3A1CDK1
SCHEMBL14621731 0.96 POLB (0.40) HDAC1POLBSERPINA3BTN3A1CDK1
SCHEMBL14621938 0.95 POLB (0.41) HDAC1POLBSERPINA3BTN3A1CDK1
SCHEMBL2734872 0.95 POLB (0.41) HDAC1POLBSERPINA3BTN3A1CDK1
SCHEMBL14621502 0.93 HDAC1 (0.41) HDAC1POLBSERPINA3TLR7FGFR1
SCHEMBL2734878 0.93 HDAC1 (0.41) HDAC1POLBSERPINA3TLR7FGFR1
SCHEMBL12339261 0.91 SERPINA3 (0.44) HDAC1POLBSERPINA3BTN3A1CDK1

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 HDAC1 1229/4885POLB 82/4885SERPINA3 1896/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 HDAC1 1229/4885POLB 82/4885SERPINA3 1896/4885

“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.