SCHEMBL4095358

SCHEMBL4095358

COc1cc2nc(Oc3ccc(C(C)(C)C)cc3)nc(N3CCCC3)c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 1/20 0.54
KDM4E B2RXH2 1/20 0.53
STAT6 P42226 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
FGFR2 P21802 4/20 0.49
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
PDE10A Q9Y233 1/20 0.48
PDGFRB P09619 4/20 0.46
PDGFRA P16234 3/20 0.46
KIT P10721 1/20 0.46
SPIN1 Q9Y657 2/20 0.44
TLR9 Q9NR96 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
NTSR1 P30989 1/20 0.43
NSD2 O96028 1/20 0.42

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
SCHEMBL4092330 0.90 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KDM4ESTAT6NPSR1
SCHEMBL4095286 0.79 MAPT (0.54) SMN1; SMN2ALDH1A1KDM4ESTAT6NPSR1
SCHEMBL4098753 0.72 KDM4E (0.57) KDM4ESTAT6NPSR1NTSR1
SCHEMBL13329878 0.72 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1KDM4ESTAT6NPSR1
SCHEMBL13329880 0.72 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1KDM4ESTAT6NPSR1
SCHEMBL30455285 0.72 SMN1; SMN2 (0.97) SMN1; SMN2ALDH1A1KDM4ESTAT6NPSR1
SCHEMBL4092118 0.72 SMN1; SMN2 (0.97) SMN1; SMN2ALDH1A1KDM4ESTAT6NPSR1
SCHEMBL3318391 0.71 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KDM4ESTAT6NPSR1
SCHEMBL14412487 0.71 SPIN1 (0.74) SMN1; SMN2ALDH1A1KDM4ESTAT6NPSR1
SCHEMBL13657775 0.67 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1KDM4ENPSR1FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 SMN1; SMN2 1281/4885ALDH1A1 4857/4885KDM4E 1626/4885

“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.