SCHEMBL4084599

SCHEMBL4084599

CN(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)nc2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.82
CYP1A2 P05177 4/20 0.69
MAPT P10636 4/20 0.69
CYP3A4 P08684 3/20 0.69
CYP2C9 P11712 3/20 0.69
POLB P06746 2/20 0.69
NPSR1 Q6W5P4 1/20 0.69
GBA1 P04062 6/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 4/20 0.58
CYP2D6 P10635 3/20 0.55
HPGD P15428 3/20 0.55
CYP2C19 P33261 3/20 0.55
KDM4E B2RXH2 2/20 0.55
GLA P06280 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
CASP1 P29466 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL1085047 0.90 PDE5A (1.00) PDE5ACYP1A2MAPTCYP3A4CYP2C9
SCHEMBL4090063 0.85 PDE5A (0.78) PDE5ACYP1A2MAPTCYP3A4CYP2C9
SCHEMBL4095681 0.84 PDE5A (0.72) PDE5ACYP1A2MAPTCYP3A4CYP2C9
SCHEMBL3974313 0.83 PDE5A (0.60) PDE5ACYP1A2MAPTCYP3A4CYP2C9
SCHEMBL4090611 0.83 PDE5A (0.63) PDE5ACYP1A2MAPTCYP3A4CYP2C9
SCHEMBL2592425 0.82 MAPT (1.00) PDE5ACYP1A2MAPTCYP3A4CYP2C9
SCHEMBL4090908 0.82 CYP1A2 (0.71) PDE5ACYP1A2MAPTCYP3A4CYP2C9
SCHEMBL18353944 0.80 GBA1 (0.93) PDE5ACYP1A2MAPTCYP3A4CYP2C9
SCHEMBL1083881 0.80 PDE5A (0.78) PDE5ACYP1A2MAPTCYP3A4CYP2C9
SCHEMBL18354422 0.78 GBA1 (0.87) PDE5ACYP1A2MAPTCYP3A4CYP2C9

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 1861/4885CYP1A2 2477/4885MAPT 4125/4885

“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.