SCHEMBL668559

SCHEMBL668559

Fc1cccc(Nc2ncnc3ccccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 1.00
ABCG2 Q9UNQ0 7/20 1.00
HTT P42858 3/20 0.69
FADS1 O60427 1/20 0.69
AHR P35869 1/20 0.69
GLA P06280 1/20 0.69
MAP4K4 O95819 2/20 0.69
LTK P29376 2/20 0.69
MAPK8 P45983 2/20 0.69
LIMK1 P53667 2/20 0.69
ACVR1 Q04771 2/20 0.69
DYRK1A Q13627 2/20 0.69
MAPK14 Q16539 2/20 0.69
LRRK2 Q5S007 2/20 0.69
AURKB Q96GD4 2/20 0.69
CLK4 Q9HAZ1 2/20 0.69
DYRK1B Q9Y463 2/20 0.69
DAPK3 O43293 1/20 0.69
ABL1 P00519 1/20 0.69
ERBB2 P04626 1/20 0.69

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
SCHEMBL4393321 0.83 AHR (0.97) EGFRABCG2HTTFADS1AHR
SCHEMBL5565226 0.83 HTT (0.72) EGFRABCG2HTTERBB2HIF1A
SCHEMBL29058751 0.83 EGFR (0.71) EGFRABCG2HTTLCK
SCHEMBL30395473 0.83 EGFR (0.71) EGFRABCG2HTTLCK
SCHEMBL5569041 0.83 EGFR (0.75) EGFRABCG2HTTFADS1AHR
SCHEMBL8920 0.82 EGFR (1.00) EGFRABCG2HTTFADS1AHR
SCHEMBL29941271 0.82 EGFR (1.00) EGFRABCG2HTTFADS1AHR
SCHEMBL2992623 0.82 EGFR (1.00) EGFRABCG2HTTFADS1AHR
SCHEMBL4356660 0.82 EGFR (1.00) EGFRABCG2HTTFADS1AHR
SCHEMBL5569900 0.82 HTT (1.00) EGFRABCG2HTTFADS1AHR

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-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US claimed
EP-1673346-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC Biotech AG (DE) 2006-06-28 EP claimed
WO-2005040125-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC BIOTECH AG (DE) 2005-05-06 WO claimed
US-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS NORTHEASTERN UNIVERSITY (US) 2012-02-23 US disclosed
US-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS NORTHEASTERN UNIVERSITY (US) 2012-02-23 US disclosed
US-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS NORTHEASTERN UNIVERSITY (US) 2012-02-23 US disclosed
WO-2010085747-A1 STEROIDAL ANTI-HORMONE HYBRIDS NORTHEASTERN UNIVERSITY (US) 2010-07-29 WO disclosed
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US disclosed
EP-1673346-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC Biotech AG (DE) 2006-06-28 EP disclosed
WO-2005040125-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC BIOTECH AG (DE) 2005-05-06 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-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS ESRRA, ESRRB, NR5A1 EGFR 768/4885ABCG2 2837/4885HTT 4357/4885
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections IRF3, PML, TPMT EGFR 1445/4885ABCG2 311/4885HTT 2700/4885

“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.