SCHEMBL4890852

SCHEMBL4890852

COc1cc(Nc2ncnc3ccc(-c4cccs4)cc23)ccc1N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.55
RIPK2 O43353 1/20 0.54
RIPK3 Q9Y572 1/20 0.54
HDAC1 Q13547 2/20 0.48
MAPK1 P28482 2/20 0.47
MAPT P10636 1/20 0.47
AHR P35869 1/20 0.47
HTT P42858 1/20 0.47
CLK4 Q9HAZ1 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
ERBB2 P04626 1/20 0.46

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
SCHEMBL4888359 0.89 RIPK2 (0.57) EGFRRIPK2RIPK3MAPK1MAPT
SCHEMBL4889115 0.85 MAPT (0.66) RIPK2RIPK3MAPK1MAPTAHR
SCHEMBL4881656 0.83 EGFR (0.62) EGFRMAPK1MAPTAHRHTT
SCHEMBL4890249 0.77 CD38 (0.49) RIPK2RIPK3MAPK1MAPTAHR
SCHEMBL4931410 0.76 MAPT (0.66) EGFRMAPK1MAPTAHRHTT
SCHEMBL4889676 0.73 MAPK1 (0.48) RIPK2RIPK3MAPK1MAPTAHR
SCHEMBL15650806 0.73 ABCB1 (0.49) EGFRMAPK1MAPTHTTALDH1A1
SCHEMBL4935871 0.73 RAF1 (0.64) EGFRMAPK1MAPTAHRHTT
SCHEMBL4895102 0.72 MAPT (0.63) MAPK1MAPTAHRHTTALDH1A1
SCHEMBL4008515 0.72 MAPT (0.80) EGFRMAPK1MAPTAHRHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311076-A1 Morpholinylanilinoquinazoline Derivatives For Use As Antiviral Agents ARROW THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
EP-1748991-A1 MORPHOLINYLANILINOQUINAZO- LINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2007-02-07 EP disclosed
WO-2005105761-A1 MORPHOLINYLANILINOQUINAZO- LINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2005-11-10 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 (1 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-20080311076-A1 Morpholinylanilinoquinazoline Derivatives For Use As Antiviral Agents EIF2AK2, MAVS, IRF3 EGFR 3952/4885RIPK2 1249/4885RIPK3 976/4885

“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.