SCHEMBL4090611

SCHEMBL4090611

CN(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.63
CYP1A2 P05177 8/20 0.56
CYP2D6 P10635 7/20 0.56
CYP3A4 P08684 6/20 0.56
MAPT P10636 5/20 0.56
CYP2C19 P33261 5/20 0.56
LMNA P02545 4/20 0.56
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 4/20 0.52
GBA1 P04062 6/20 0.51
MAT2A P31153 1/20 0.51
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 6/20 0.47
CLK4 Q9HAZ1 4/20 0.47
USP2 O75604 2/20 0.44

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
SCHEMBL4090908 0.88 CYP1A2 (0.71) PDE5ACYP1A2CYP2D6CYP3A4MAPT
SCHEMBL4084599 0.83 PDE5A (0.82) PDE5ACYP1A2CYP2D6CYP3A4MAPT
SCHEMBL13300275 0.82 CYP1A2 (0.47) PDE5ACYP1A2CYP2D6CYP3A4MAPT
SCHEMBL1084027 0.81 PDE5A (0.53) PDE5ACYP1A2CYP2D6CYP3A4MAPT
SCHEMBL4090718 0.79 PDE5A (0.63) PDE5ACYP1A2CYP2D6CYP3A4MAPT
SCHEMBL4092209 0.79 POLB (0.53) CYP1A2CYP2D6CYP3A4MAPTCYP2C19
SCHEMBL1085047 0.78 PDE5A (1.00) PDE5ACYP1A2CYP2D6CYP3A4MAPT
SCHEMBL1084012 0.78 PDE5A (0.69) PDE5ACYP1A2CYP2D6CYP3A4MAPT
SCHEMBL2592281 0.78 PDE5A (0.69) PDE5ACYP1A2CYP2D6CYP3A4MAPT
SCHEMBL3110092 0.75 METAP1 (0.54) CYP1A2CYP2D6CYP3A4MAPTCYP2C19

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 2477/4885CYP2D6 3010/4885

“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.