SCHEMBL4084446

SCHEMBL4084446

COC(=O)c1ccc2nc(-c3ccccc3Cl)nc(Cl)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.61
MAPT P10636 3/20 0.61
TSPO P30536 3/20 0.48
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP2C9 P11712 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4089373 0.81 TP53 (0.63) TP53MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4091099 0.81 CYP1A2 (0.53) TP53MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4090998 0.81 MAPT (0.68) TP53MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL25251658 0.80 TP53 (0.50) TP53MAPTCYP1A2CYP2C19MAPK1
SCHEMBL25987307 0.77 ABCG2 (0.54) TP53MAPTHSD17B10TDP1ALDH1A1
SCHEMBL9653909 0.77 TP53 (0.47) TP53MAPTHSD17B10ALOX15HTT
SCHEMBL4084758 0.77 MAPT (0.62) TP53MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL9907565 0.77 TP53 (0.47) TP53MAPTHSD17B10ALDH1A1ALOX15
SCHEMBL16502432 0.76 MAPT (0.48) TP53MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4102636 0.76 MAPT (0.61) TP53MAPTCYP1A2CYP3A4CYP2C19

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 2 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
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 TP53 4574/4885MAPT 4125/4885TSPO 202/4885

“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.