SCHEMBL11727

SCHEMBL11727

CCN(CC)CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
KDR P35968 3/20 1.00
AURKA O14965 1/20 0.76
ERBB2 P04626 1/20 0.76
INSR P06213 1/20 0.76
FBP1 P09467 1/20 0.76
PDGFRB P09619 1/20 0.76
FLT4 P35916 1/20 0.76
CLK1 P49759 1/20 0.76
EPHB4 P54760 1/20 0.76
TEK Q02763 1/20 0.76
AURKB Q96GD4 1/20 0.76

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
SCHEMBL10883 0.96 EGFR (1.00) EGFRKDRAURKAERBB2INSR
SCHEMBL13562523 0.93 EGFR (0.90) EGFRKDRAURKAERBB2INSR
SCHEMBL8623 0.93 EGFR (1.00) EGFRKDRAURKAERBB2INSR
SCHEMBL3076337 0.92 EGFR (0.84) EGFRKDRAURKAERBB2INSR
SCHEMBL3074568 0.92 EGFR (0.84) EGFRKDRAURKAERBB2INSR
SCHEMBL3074572 0.92 EGFR (0.84) EGFRKDRAURKAERBB2INSR
SCHEMBL12856412 0.91 EGFR (1.00) EGFRKDRAURKAERBB2INSR
SCHEMBL18435103 0.91 EGFR (0.90) EGFRKDRAURKAERBB2INSR
SCHEMBL11113 0.91 EGFR (1.00) EGFRKDRAURKAERBB2INSR
SCHEMBL30520472 0.90 EGFR (0.87) 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 11 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-2011112588-A2 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2011-09-15 WO 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 1/4885KDR 31/4885AURKA 630/4885
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK EGFR 129/4885KDR 395/4885AURKA 167/4885
US-20130005726-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS NOD2, RIPK2, RIPK1 EGFR 2498/4885KDR 3236/4885AURKA 3566/4885

“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.