SCHEMBL4089287

SCHEMBL4089287

CN1CCN(c2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)CC1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.98
MEN1 O00255 2/20 0.98
KMT2A Q03164 2/20 0.98
TP53 P04637 3/20 0.74
MAPK1 P28482 5/20 0.71
TSHR P16473 5/20 0.71
ALDH1A1 P00352 4/20 0.71
LMNA P02545 3/20 0.71
KDM4E B2RXH2 2/20 0.71
CYP3A4 P08684 8/20 0.70
CYP2D6 P10635 8/20 0.70
HSD17B10 Q99714 3/20 0.70
MAPT P10636 1/20 0.70
HPGD P15428 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
GBA1 P04062 2/20 0.67
NPC1 O15118 1/20 0.64
CYP1A2 P05177 7/20 0.63
CLK4 Q9HAZ1 4/20 0.63
USP2 O75604 3/20 0.63

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 0.90 MEN1 (0.80) RAB9AMEN1KMT2ATP53MAPK1
SCHEMBL4085139 0.89 RAB9A (0.78) RAB9AMEN1KMT2ATP53MAPK1
SCHEMBL4092367 0.89 KMT2A (0.78) RAB9AMEN1KMT2ATP53MAPK1
SCHEMBL6125247 0.88 TSHR (0.84) RAB9AMEN1KMT2ATP53MAPK1
SCHEMBL4089879 0.86 MEN1 (0.74) RAB9AMEN1KMT2ATP53MAPK1
SCHEMBL4088943 0.86 MEN1 (0.74) RAB9AMEN1KMT2ATP53MAPK1
SCHEMBL1083852 0.86 TSHR (0.76) RAB9AMEN1KMT2ATP53MAPK1
SCHEMBL4094693 0.85 MEN1 (0.72) RAB9AMEN1KMT2ATP53MAPK1
SCHEMBL1084030 0.85 ALDH1A1 (0.74) RAB9AMEN1KMT2ATP53MAPK1
SCHEMBL1083917 0.85 TSHR (0.74) RAB9AMEN1KMT2ATP53MAPK1

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 RAB9A 640/4885MEN1 718/4885KMT2A 1424/4885

“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.