SCHEMBL4091148

SCHEMBL4091148

CCCNC(=O)N1CCN(c2nc(-c3ccccc3Cl)nc3cccc(Cl)c23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ABCB1 P08183 1/20 0.45
KIT P10721 2/20 0.44
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
P2RY12 Q9H244 5/20 0.43
ALDH1A1 P00352 1/20 0.42
CHRM4 P08173 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CNR2 P34972 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39

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
SCHEMBL4084686 0.89 MEN1 (0.63) MEN1KMT2AABCB1KITCYP2C19
SCHEMBL4095317 0.85 KMT2A (0.54) MEN1KMT2AABCB1CYP2C19CYP1A2
SCHEMBL4090368 0.85 MEN1 (0.53) MEN1KMT2AABCB1CYP2C19CYP1A2
SCHEMBL4090729 0.84 ABCB1 (0.52) MEN1KMT2AABCB1CYP2C19CYP1A2
SCHEMBL4092273 0.83 KMT2A (0.53) MEN1KMT2AABCB1CYP2C19CYP1A2
SCHEMBL4089674 0.83 ABCB1 (0.49) MEN1KMT2AABCB1CYP2C19CYP1A2
SCHEMBL4085044 0.83 KMT2A (0.49) MEN1KMT2AABCB1CYP2C19CYP1A2
SCHEMBL4090278 0.81 MEN1 (0.66) MEN1KMT2AABCB1CYP2C19CYP1A2
SCHEMBL4085117 0.80 KMT2A (0.48) MEN1KMT2AABCB1CYP2C19CYP1A2
SCHEMBL4754027 0.79 MEN1 (0.56) MEN1KMT2AABCB1CYP2C19CYP1A2

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 MEN1 718/4885KMT2A 1424/4885ABCB1 2120/4885

“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.