SCHEMBL8789

SCHEMBL8789

COc1cc2ncnc(Nc3ccc(F)c(F)c3)c2cc1OCCCN(C)C

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.84
RET P07949 3/20 0.69
KIF5B P33176 2/20 0.69
KDR P35968 3/20 0.65
AURKA O14965 1/20 0.62
ERBB2 P04626 1/20 0.62
INSR P06213 1/20 0.62
FBP1 P09467 1/20 0.62
PDGFRB P09619 1/20 0.62
FLT4 P35916 1/20 0.62
CLK1 P49759 1/20 0.62
EPHB4 P54760 1/20 0.62
TEK Q02763 1/20 0.62
AURKB Q96GD4 1/20 0.62
RIPK2 O43353 1/20 0.62
NOD1 Q9Y239 1/20 0.62

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
SCHEMBL19006946 0.92 EGFR (0.81) EGFRRETKIF5BKDRAURKA
SCHEMBL17520337 0.91 EGFR (1.00) EGFRKDRAURKAERBB2INSR
SCHEMBL2102985 0.91 EGFR (1.00) EGFRKDRAURKAERBB2INSR
SCHEMBL9052 0.90 EGFR (0.86) EGFRKDRAURKAERBB2INSR
SCHEMBL19220791 0.89 EGFR (0.77) EGFRRETKIF5BKDR
SCHEMBL17520361 0.89 EGFR (0.94) EGFRKDRAURKAERBB2INSR
SCHEMBL11113 0.86 EGFR (1.00) EGFRKDRAURKAERBB2INSR
SCHEMBL9280 0.83 KDR (0.77) EGFRRETKIF5BKDRFLT4
SCHEMBL10883 0.83 EGFR (1.00) EGFRKDRAURKAERBB2INSR
SCHEMBL18435103 0.83 EGFR (0.90) EGFRKDRAURKAERBB2INSR

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-20130005726-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2013-01-03 US disclosed
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2012-04-19 US disclosed
WO-2010120387-A1 OLIGOMER-PROTEIN TYROSINE KINASE INHIBITOR CONJUGATES NEKTAR THERAPEUTICS (US) 2010-10-21 WO disclosed
US-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-02-19 US disclosed
EP-1859793-A1 NOVEL COMBINATIONAL USE OF SULFONAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-11-28 EP disclosed
WO-2005048928-A2 METHODS FOR TREATING VIRAL INFECTION GEORGE MASON INTELLECTUAL PROPERTY (US) 2005-06-02 WO disclosed
EP-0823900-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-12-27 EP disclosed
US-5770599-A RECEPTOR TYROSINE KINASE INHIBITORS including 4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(2-morpholinoethoxy)quinazoline (gefitinib) ZENECA LIMITED (GB) 1998-06-23 US disclosed
EP-0823900-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-02-18 EP disclosed
WO-1996033980-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-10-31 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 (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-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EGFR, KIT, ERBB2 EGFR 1/4885RET 15/4885KIF5B 1740/4885
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK EGFR 129/4885RET 73/4885KIF5B 1187/4885
US-20130005726-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS NOD2, RIPK2, RIPK1 EGFR 2498/4885RET 352/4885KIF5B 4079/4885

“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.