SCHEMBL4602862

SCHEMBL4602862

CC1(C)OB(c2cccc(OCCCCl)c2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.49
LIPG Q9Y5X9 9/20 0.49
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
DGAT1 O75907 1/20 0.36
EGFR P00533 1/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 1/20 0.35
KCNH2 Q12809 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2979968 0.96 LPL (0.48) LPLLIPGCA1CA2CA9
SCHEMBL2801619 0.91 LPL (0.51) LPLLIPGTSHR
SCHEMBL18124821 0.91 LIPG (0.50) LPLLIPGCA1CA2CA9
SCHEMBL13453433 0.88 LPL (0.59) LPLLIPGTSHRKMT2A
SCHEMBL23078522 0.87 LIPG (0.48) LPLLIPGCA1CA2CA9
SCHEMBL31150275 0.87 LPL (0.48) LPLLIPGTSHR
SCHEMBL8445213 0.87 LPL (0.48) LPLLIPGCA1CA2CA9
SCHEMBL1830523 0.87 LPL (0.48) LPLLIPGCA1CA2CA9
SCHEMBL4513327 0.87 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL31150273 0.86 LPL (0.47) LPLLIPGHIF1ATSHRKMT2A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273538-A1 PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-09-27 US disclosed
EP-3356364-A1 NEW PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS DUAL DYRK1/CLK1 INHIBITORS Les Laboratoires Servier (FR) 2018-08-08 EP disclosed
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
EP-1957498-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING MethylGene Inc. (CA) 2008-08-20 EP disclosed
WO-2008041053-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2008-04-10 WO disclosed
WO-2008041053-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2008-04-10 WO disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (3 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 LPL 2533/4885LIPG 592/4885CA1 4780/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR LPL 4253/4885LIPG 1508/4885CA1 4108/4885
US-20180273538-A1 PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DPYD, TYMS, TYMP LPL 3310/4885LIPG 3709/4885CA1 4602/4885

“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.