SCHEMBL4090985

SCHEMBL4090985

CC(C)(C)c1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.71
MEN1 O00255 7/20 0.70
KMT2A Q03164 7/20 0.70
CYP1A2 P05177 5/20 0.70
CYP3A4 P08684 5/20 0.70
CYP2C19 P33261 4/20 0.70
LMNA P02545 4/20 0.70
CYP2D6 P10635 3/20 0.70
CYP2C9 P11712 3/20 0.70
CLK4 Q9HAZ1 3/20 0.70
ALDH1A1 P00352 3/20 0.70
USP2 O75604 1/20 0.70
TP53 P04637 4/20 0.67
MAPT P10636 4/20 0.67
HSD17B10 Q99714 3/20 0.62
MAPK1 P28482 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
GBA1 P04062 1/20 0.60
ALK Q9UM73 2/20 0.58
PDE5A O76074 1/20 0.54

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
SCHEMBL4085665 0.83 ABCG2 (0.95) ABCG2MEN1KMT2ALMNATP53
SCHEMBL413342 0.82 CYP1A2 (1.00) ABCG2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4085056 0.80 MAPT (0.66) ABCG2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4092029 0.80 CYP1A2 (0.49) ABCG2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8087337 0.79 ABCG2 (0.85) ABCG2MEN1KMT2ALMNAALDH1A1
SCHEMBL4092363 0.78 PDE5A (0.76) ABCG2MEN1KMT2ALMNAALDH1A1
SCHEMBL4085140 0.78 ABCG2 (0.83) ABCG2MEN1KMT2ALMNAALDH1A1
SCHEMBL801813 0.77 CYP1A2 (0.57) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL13945462 0.76 ABCG2 (0.80) ABCG2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4089757 0.76 CYP1A2 (0.67) MEN1KMT2ACYP1A2CYP3A4CYP2C19

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 ABCG2 3127/4885MEN1 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.