SCHEMBL4892645

SCHEMBL4892645

CCN(c1ccc(N2CCOCC2)cc1)c1ncnc2ccc(-c3cccs3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.45
ALDH1A1 P00352 5/20 0.44
TP53 P04637 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ALOX15 P16050 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CLK4 Q9HAZ1 7/20 0.43
CLK1 P49759 2/20 0.43
CLK2 P49760 2/20 0.43
CLK3 P49761 2/20 0.43
DYRK1A Q13627 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
CYP2C19 P33261 5/20 0.41
CYP3A4 P08684 5/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2D6 P10635 3/20 0.41

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
SCHEMBL4893415 0.90 PRKDC (0.43) PRKDCALDH1A1TP53HSD17B10ALOX15
SCHEMBL4891839 0.85 PRKDC (0.45) PRKDCALDH1A1TP53HSD17B10ALOX15
SCHEMBL4889115 0.76 MAPT (0.66) PRKDCALDH1A1TP53HSD17B10ALOX15
SCHEMBL4890249 0.74 CD38 (0.49) PRKDCALDH1A1TP53HSD17B10ALOX15
SCHEMBL4889676 0.71 MAPK1 (0.48) PRKDCALDH1A1TP53HSD17B10ALOX15
SCHEMBL4160253 0.70 CYP1A2 (0.50) ALDH1A1HSD17B10KDM4EHPGDCLK4
SCHEMBL28580846 0.70 NPC1 (0.69) PRKDCALDH1A1TP53HSD17B10ALOX15
SCHEMBL4014696 0.69 MAPT (0.63) ALDH1A1HSD17B10KDM4ENPC1HPGD
SCHEMBL4888359 0.69 RIPK2 (0.57) PRKDCALDH1A1HSD17B10NPC1RAB9A
SCHEMBL4890770 0.68 EGFR (0.45) PRKDCHSD17B10CLK4CYP2C19CYP3A4

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 PRKDC 3375/4885ALDH1A1 2408/4885TP53 1472/4885

“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.