SCHEMBL4085200

SCHEMBL4085200

Clc1ccccc1Nc1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 1.00
ABCG2 Q9UNQ0 12/20 0.69
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
LMNA P02545 3/20 0.64
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.64
ALDH1A1 P00352 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TGFBR1 P36897 1/20 0.58
MAPK14 Q16539 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
TP53 P04637 1/20 0.57
GAA P10253 1/20 0.57

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
SCHEMBL4092363 0.87 PDE5A (0.76) PDE5AABCG2MEN1KMT2ALMNA
SCHEMBL4891835 0.82 ABCG2 (0.69) PDE5AABCG2MEN1KMT2ALMNA
SCHEMBL1063734 0.82 MEN1 (0.76) PDE5AABCG2MEN1KMT2ALMNA
SCHEMBL1063103 0.79 ABCG2 (1.00) PDE5AABCG2MEN1KMT2ALMNA
SCHEMBL4867505 0.79 ABCG2 (1.00) PDE5AABCG2MEN1KMT2ALMNA
SCHEMBL1056599 0.78 ABCG2 (1.00) PDE5AABCG2MEN1KMT2ALMNA
SCHEMBL5101433 0.77 ABCG2 (0.74) PDE5AABCG2MEN1KMT2ALMNA
SCHEMBL14262824 0.77 TGFBR1 (0.68) PDE5AABCG2MEN1KMT2ALMNA
SCHEMBL4089757 0.76 CYP1A2 (0.67) PDE5AMEN1KMT2ALMNAMAPT
SCHEMBL14727347 0.76 PDE5A (0.66) PDE5AABCG2LMNAKDM4EMAPT

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 PDE5A 1861/4885ABCG2 3127/4885MEN1 718/4885

“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.