SCHEMBL4088943

SCHEMBL4088943

CC(C)(C)c1ccc(-c2nc(N3CCSCC3)c3ccccc3n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
RAB9A P51151 1/20 0.74
TP53 P04637 7/20 0.73
GBA1 P04062 2/20 0.63
ACP1 P24666 2/20 0.58
ABCG2 Q9UNQ0 1/20 0.55
TSHR P16473 5/20 0.53
USP2 O75604 2/20 0.53
LMNA P02545 5/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 4/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 1/20 0.53
CYP1A2 P05177 2/20 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
SCHEMBL4096150 0.89 MEN1 (0.80) MEN1KMT2ARAB9ATP53GBA1
SCHEMBL4092367 0.88 KMT2A (0.78) MEN1KMT2ARAB9ATP53GBA1
SCHEMBL4089287 0.86 RAB9A (0.98) MEN1KMT2ARAB9ATP53GBA1
SCHEMBL4089879 0.85 MEN1 (0.74) MEN1KMT2ARAB9ATP53GBA1
SCHEMBL4094693 0.81 MEN1 (0.72) MEN1KMT2ARAB9ATP53GBA1
SCHEMBL4755806 0.80 RAB9A (0.69) MEN1KMT2ARAB9ATP53GBA1
SCHEMBL4095930 0.77 MEN1 (0.66) MEN1KMT2ARAB9ATP53GBA1
SCHEMBL1085065 0.77 ABCG2 (0.88) MEN1KMT2ATP53ACP1ABCG2
SCHEMBL4095137 0.76 ACP1 (0.74) MEN1KMT2ARAB9ATP53GBA1
SCHEMBL4085139 0.76 RAB9A (0.78) MEN1KMT2ARAB9ATP53GBA1

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 4 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

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 1424/4885RAB9A 640/4885

“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.