SCHEMBL2734847

SCHEMBL2734847

COC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(N)ncnc21)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.55
SLC22A6 Q4U2R8 2/20 0.55
ABCB11 O95342 1/20 0.51
POLA1 P09884 1/20 0.51
POLG P54098 1/20 0.51
FAP Q12884 1/20 0.51
NSD3 Q9BZ95 4/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
EGFR P00533 1/20 0.45
BTN3A1 O00481 1/20 0.44
CYP3A4 P08684 1/20 0.44
SERPINA3 P01011 1/20 0.43
ADCY5 O95622 1/20 0.43
ADORA2A P29274 1/20 0.42
NSD2 O96028 3/20 0.42

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
SCHEMBL19370539 0.94 FGFR1 (0.53) FGFR1SLC22A6ABCB11POLA1POLG
SCHEMBL12339258 0.94 FGFR1 (0.53) FGFR1SLC22A6ABCB11POLA1POLG
SCHEMBL21577310 0.94 FGFR1 (0.53) FGFR1SLC22A6ABCB11POLA1POLG
SCHEMBL14839881 0.89 ADCY5 (0.49) FGFR1SLC22A6ABCB11POLA1POLG
SCHEMBL24808635 0.87 CYP3A4 (0.59) FAPCYP3A4
SCHEMBL14417996 0.87 CYP3A4 (0.59) FAPCYP3A4
SCHEMBL21991323 0.82 SERPINA3 (0.53) FGFR1SLC22A6ABCB11POLA1POLG
SCHEMBL28038355 0.82 CYP3A4 (0.54) FAPCYP3A4
SCHEMBL28038352 0.82 CYP3A4 (0.54) FAPCYP3A4
SCHEMBL20067756 0.82 FAP (0.49) FAPEGFRBTN3A1CYP3A4ADORA2A

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 9 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-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-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
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 FGFR1 1503/4885SLC22A6 3330/4885ABCB11 2452/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 FGFR1 1503/4885SLC22A6 3330/4885ABCB11 2452/4885

“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.