SCHEMBL4094753

SCHEMBL4094753

CC(C)(C)c1ccc(CNc2nc(-c3ccc(C(F)(F)F)cc3)nc3ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
LMNA P02545 3/20 0.70
MAPT P10636 2/20 0.70
KDM4E B2RXH2 1/20 0.70
NPC1 O15118 1/20 0.70
HTT P42858 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
USP1 O94782 8/20 0.67
WDR48 Q8TAF3 8/20 0.67
APP P05067 1/20 0.64
PDE5A O76074 3/20 0.63
GBA1 P04062 1/20 0.63
ATM Q13315 1/20 0.63
PTGS1 P23219 1/20 0.61
TBXAS1 P24557 1/20 0.61
PTGS2 P35354 1/20 0.61
ABCG2 Q9UNQ0 2/20 0.57
CTNNB1 P35222 1/20 0.56

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
SCHEMBL4868136 0.92 MEN1 (0.76) MEN1KMT2ALMNAMAPTUSP1
SCHEMBL4084636 0.89 MEN1 (0.65) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL4085140 0.82 ABCG2 (0.83) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL3641849 0.79 RAD52 (0.76) KMT2ALMNAMAPTKDM4ENPSR1
SCHEMBL4864021 0.79 APP (0.73) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL2583554 0.79 MEN1 (1.00) MEN1KMT2ALMNAMAPTUSP1
SCHEMBL4848730 0.79 ABCG2 (0.69) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL1084183 0.79 MEN1 (0.89) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL27899411 0.79 MEN1 (0.83) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL1083763 0.79 PDE5A (1.00) MEN1KMT2ALMNAMAPTNPC1

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 1 patent. 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

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 MEN1 718/4885KMT2A 1424/4885LMNA 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.