SCHEMBL4089757

SCHEMBL4089757

Cc1ccccc1Nc1nc(-c2ccccc2Cl)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.67
CYP3A4 P08684 7/20 0.67
CYP2C19 P33261 5/20 0.67
CYP2D6 P10635 5/20 0.67
HSD17B10 Q99714 3/20 0.67
CYP2C9 P11712 2/20 0.67
MAPK1 P28482 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
CLK4 Q9HAZ1 5/20 0.63
ALDH1A1 P00352 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
USP2 O75604 3/20 0.63
LMNA P02545 2/20 0.63
PDE5A O76074 1/20 0.61
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
GBA1 P04062 1/20 0.57
ALOX15 P16050 2/20 0.57
TSHR P16473 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
SCHEMBL4891835 0.82 ABCG2 (0.69) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL4089373 0.81 TP53 (0.63) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL9776701 0.80 SLC2A1 (0.59) LMNAPDE5A
Hydrochloric Acid SCHEMBL9776744 0.79 SLC2A1 (0.62) LMNAPDE5A
SCHEMBL802194 0.78 GSK3A (0.72) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL786017 0.78 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL413342 0.77 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL1084069 0.77 CYP1A2 (0.72) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL802029 0.77 AURKA (0.72) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL4085200 0.76 PDE5A (1.00) TDP1ALDH1A1MEN1KMT2ALMNA

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 CYP1A2 2477/4885CYP3A4 2113/4885CYP2C19 1655/4885

“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.