SCHEMBL8669

SCHEMBL8669

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 1.00
KDR P35968 4/20 0.85
EPHB4 P54760 3/20 0.85
EPHA2 P29317 2/20 0.85
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
SCHEMBL17520332 0.99 EGFR (1.00) EGFRKDREPHB4EPHA2CIT
SCHEMBL11132 0.99 EGFR (1.00) EGFRKDREPHB4EPHA2CIT
SCHEMBL11395 0.96 EGFR (1.00) EGFRKDREPHB4EPHA2CIT
SCHEMBL12012 0.95 EGFR (1.00) EGFRKDREPHB4EPHA2CIT
SCHEMBL17520338 0.95 EGFR (1.00) EGFRKDREPHB4EPHA2CIT
SCHEMBL17520333 0.94 EGFR (0.95) EGFRKDREPHB4EPHA2CIT
SCHEMBL8949 0.93 EGFR (1.00) EGFRKDREPHB4EPHA2CIT
SCHEMBL906652 0.92 KDR (1.00) EGFRKDREPHB4EPHA2ERBB2
SCHEMBL11019 0.91 EGFR (1.00) EGFRKDREPHB4EPHA2CIT
SCHEMBL907931 0.91 KDR (1.00) EGFRKDREPHB4EPHA2ERBB2

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 8 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
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 (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-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK EGFR 129/4885KDR 395/4885EPHB4 1282/4885
US-20130005726-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS NOD2, RIPK2, RIPK1 EGFR 2498/4885KDR 3236/4885EPHB4 2002/4885

“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.