SCHEMBL8949

SCHEMBL8949

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCN(C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
KDR P35968 4/20 0.77
FLT4 P35916 2/20 0.77
EPHB4 P54760 2/20 0.77
CIT O14578 1/20 0.77
GAK O14976 1/20 0.77
EPHB6 O15197 1/20 0.77
ABCC4 O15439 1/20 0.77
DAPK3 O43293 1/20 0.77
RIPK2 O43353 1/20 0.77
NR1I2 O75469 1/20 0.77
RPS6KA4 O75676 1/20 0.77
STK17B O94768 1/20 0.77
STK10 O94804 1/20 0.77
PRKD3 O94806 1/20 0.77
ABCB11 O95342 1/20 0.77
MAP4K4 O95819 1/20 0.77
CHEK2 O96017 1/20 0.77
ABL1 P00519 1/20 0.77
ERBB2 P04626 1/20 0.77

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
SCHEMBL22338480 0.96 EGFR (0.92) EGFRKDRFLT4EPHB4CIT
SCHEMBL17520332 0.94 EGFR (1.00) EGFRKDRFLT4EPHB4CIT
SCHEMBL11132 0.94 EGFR (1.00) EGFRKDRFLT4EPHB4CIT
SCHEMBL8669 0.93 EGFR (1.00) EGFRKDRFLT4EPHB4CIT
SCHEMBL11019 0.91 EGFR (1.00) EGFRKDRFLT4EPHB4CIT
SCHEMBL27315319 0.90 EGFR (0.81) EGFRKDRFLT4EPHB4CIT
SCHEMBL17520338 0.90 EGFR (1.00) EGFRKDRFLT4EPHB4CIT
SCHEMBL12012 0.90 EGFR (1.00) EGFRKDRFLT4EPHB4CIT
SCHEMBL22336591 0.89 EGFR (0.86) EGFRKDRFLT4EPHB4CIT
SCHEMBL11395 0.89 EGFR (1.00) EGFRKDRFLT4EPHB4CIT

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-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
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 31/4885FLT4 51/4885
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK EGFR 129/4885KDR 395/4885FLT4 345/4885
US-20130005726-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS NOD2, RIPK2, RIPK1 EGFR 2498/4885KDR 3236/4885FLT4 3354/4885

“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.