SCHEMBL4092207

SCHEMBL4092207

Clc1ccc(-c2nc(NCC3CC3)c3ccccc3n2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.56
SOS1 Q07889 2/20 0.55
TLR7 Q9NYK1 1/20 0.52
MAPK1 P28482 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
GBA1 P04062 1/20 0.50
APP P05067 1/20 0.49
CYP1A2 P05177 7/20 0.48
CYP3A4 P08684 6/20 0.48
CLK4 Q9HAZ1 5/20 0.48
CYP2C19 P33261 5/20 0.48
CYP2D6 P10635 5/20 0.47
CYP2C9 P11712 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 5/20 0.47
TSHR P16473 3/20 0.47
USP2 O75604 2/20 0.47

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
SCHEMBL4095601 0.88 CYP1A2 (0.61) PDE5ASOS1TLR7MAPK1MEN1
SCHEMBL4092134 0.82 APP (0.62) PDE5ASOS1TLR7MAPK1MEN1
SCHEMBL4091164 0.82 PDE5A (0.65) PDE5AMAPK1MEN1KMT2AMAPT
SCHEMBL3107341 0.81 METAP1 (0.59) PDE5AMAPK1MEN1KMT2AGBA1
SCHEMBL13300218 0.79 MEN1 (0.55) PDE5AMAPK1MEN1KMT2AMAPT
SCHEMBL4101791 0.79 PDE5A (0.79) PDE5ATLR7MAPK1MEN1KMT2A
SCHEMBL13300292 0.78 METAP1 (0.53) PDE5AMAPK1MEN1KMT2ACYP1A2
SCHEMBL13300144 0.77 CYP1A2 (0.58) PDE5AMAPK1MEN1KMT2AMAPT
SCHEMBL13300086 0.77 CYP1A2 (0.49) PDE5AMAPK1MEN1KMT2AMAPT
SCHEMBL8890678 0.77 TLR7 (0.64) PDE5ASOS1TLR7MAPK1MEN1

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 PDE5A 1861/4885SOS1 1927/4885TLR7 2589/4885

“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.