SCHEMBL4085140

SCHEMBL4085140

CC(C)(C)c1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)nc3ccccc23)cc1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 11/20 0.83
KDM1A O60341 3/20 0.77
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
MAPT P10636 1/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
RXFP1 Q9HBX9 1/20 0.59
PDE5A O76074 3/20 0.59
TGFBR1 P36897 1/20 0.59
MAPK14 Q16539 1/20 0.59
POLB P06746 1/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
GBA1 P04062 1/20 0.58

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
SCHEMBL4085665 0.94 ABCG2 (0.95) ABCG2KDM1ALMNATP53MAPT
SCHEMBL8087337 0.89 ABCG2 (0.85) ABCG2KDM1ALMNATP53MAPT
SCHEMBL4095375 0.88 ABCG2 (0.74) ABCG2KDM1ALMNATP53MAPT
SCHEMBL13945462 0.86 ABCG2 (0.80) ABCG2KDM1ALMNATP53MAPT
SCHEMBL4092319 0.85 ABCG2 (0.74) ABCG2KDM1ALMNATP53MAPT
SCHEMBL4085190 0.85 ABCG2 (0.74) ABCG2KDM1ALMNATP53MAPT
SCHEMBL4094753 0.82 MEN1 (0.70) ABCG2KDM1ALMNAMAPTMEN1
SCHEMBL5143088 0.82 ABCG2 (0.63) ABCG2KDM1ALMNATP53MAPT
SCHEMBL4848730 0.82 ABCG2 (0.69) ABCG2KDM1ALMNATP53MAPT
SCHEMBL22201364 0.79 ABCG2 (0.94) ABCG2KDM1ALMNATP53MAPT

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 ABCG2 3127/4885KDM1A 2492/4885LMNA 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.