SCHEMBL4094778

SCHEMBL4094778

CCOC(=O)N1CCN(c2nc(-c3ccccc3Cl)nc3cccc(F)c23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.50
MEN1 O00255 8/20 0.50
ALDH1A1 P00352 7/20 0.50
ALOX15 P16050 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 7/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPK1 P28482 4/20 0.46
POLB P06746 3/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ABCB1 P08183 1/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
ABL1 P00519 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
RIN1 Q13671 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL4099740 0.93 KMT2A (0.50) KMT2AMEN1ALDH1A1ALOX15TDP1
SCHEMBL4092273 0.92 KMT2A (0.53) KMT2AMEN1ALDH1A1ALOX15TDP1
SCHEMBL4090732 0.92 KMT2A (0.53) KMT2AMEN1ALDH1A1ALOX15MAPT
SCHEMBL4090717 0.90 KMT2A (0.52) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL4084354 0.88 KMT2A (0.48) KMT2AMEN1ALDH1A1ALOX15TDP1
SCHEMBL4090616 0.88 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL4095229 0.87 CNR2 (0.48) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL4085044 0.86 KMT2A (0.49) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL4095953 0.85 MEN1 (0.67) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL4093148 0.82 KMT2A (0.54) KMT2AMEN1ALDH1A1ALOX15TDP1

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 KMT2A 1424/4885MEN1 718/4885ALDH1A1 4857/4885

“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.