SCHEMBL4094758

SCHEMBL4094758

CN(c1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(C(F)(F)F)cc2)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.64
TP53 P04637 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ABCG2 Q9UNQ0 7/20 0.57
CYP2D6 P10635 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 2/20 0.56
HPGD P15428 2/20 0.56
HIF1A Q16665 2/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56
KDM1A O60341 1/20 0.56
CLK4 Q9HAZ1 1/20 0.48

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
SCHEMBL4090453 0.94 PDE5A (0.72) PDE5ATP53SMN1; SMN2ABCG2CYP2D6
SCHEMBL4084638 0.88 PDE5A (0.57) PDE5ATP53SMN1; SMN2ABCG2CYP2D6
SCHEMBL4092370 0.85 PDE5A (0.56) PDE5ATP53SMN1; SMN2ABCG2CYP2D6
SCHEMBL1084176 0.85 CYP2D6 (0.68) PDE5ATP53SMN1; SMN2ABCG2CYP2D6
SCHEMBL1085418 0.79 PDE5A (1.00) PDE5ATP53SMN1; SMN2ABCG2CYP2D6
SCHEMBL4096816 0.79 TP53 (0.61) PDE5ATP53SMN1; SMN2ABCG2CYP2D6
SCHEMBL13734547 0.79 PDE5A (0.53) PDE5ATP53SMN1; SMN2ABCG2CYP2D6
SCHEMBL4098197 0.77 ABCG2 (0.57) PDE5ATP53SMN1; SMN2ABCG2CYP2D6
SCHEMBL4843696 0.77 PDE5A (0.83) PDE5ASMN1; SMN2ABCG2CYP2D6CYP1A2
SCHEMBL4090063 0.76 PDE5A (0.78) PDE5ATP53SMN1; SMN2ABCG2CYP2D6

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 1861/4885TP53 4574/4885SMN1; SMN2 1281/4885

“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.