SCHEMBL4095286

SCHEMBL4095286

COc1cc2nc(Nc3ccc(C(C)(C)C)cc3)nc(N3CCCC3)c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
NPSR1 Q6W5P4 3/20 0.54
LMNA P02545 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 3/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.54
RECQL P46063 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 1/20 0.52
STAT6 P42226 1/20 0.52

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
SCHEMBL4095358 0.79 SMN1; SMN2 (0.54) NPSR1ALDH1A1SMN1; SMN2KDM4ESTAT6
SCHEMBL4084773 0.79 LMNA (0.58) MAPTNPSR1LMNAKMT2APOLB
SCHEMBL4090388 0.76 LMNA (0.47) MAPTNPSR1LMNAKMT2APOLB
SCHEMBL25244226 0.76 SMN1; SMN2 (0.61) NPSR1ALDH1A1SMN1; SMN2KDM4ESTAT6
SCHEMBL25250410 0.75 CCR4 (0.60) NPSR1ALDH1A1SMN1; SMN2KDM4ESTAT6
SCHEMBL4095460 0.72 PAK4 (0.47) MAPTNPSR1LMNAKMT2APOLB
SCHEMBL16134135 0.72 KIT (0.80) PDGFRBPDGFRA
SCHEMBL4092118 0.71 SMN1; SMN2 (0.97) MAPTNPSR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13329880 0.71 SMN1; SMN2 (0.72) NPSR1ALDH1A1SMN1; SMN2KDM4ESTAT6
SCHEMBL13329878 0.71 SMN1; SMN2 (0.72) NPSR1ALDH1A1SMN1; SMN2KDM4ESTAT6

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 5 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
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 MAPT 4125/4885NPSR1 308/4885LMNA 2728/4885

“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.