SCHEMBL4084638

SCHEMBL4084638

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 2/20 0.56
ABCG2 Q9UNQ0 5/20 0.52
CYP2D6 P10635 4/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HIF1A Q16665 2/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
ACP1 P24666 1/20 0.48
EGFR P00533 2/20 0.46

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 0.89 PDE5A (0.72) PDE5ASMN1; SMN2TP53ABCG2CYP2D6
SCHEMBL4094758 0.88 PDE5A (0.64) PDE5ASMN1; SMN2TP53ABCG2CYP2D6
SCHEMBL4092370 0.81 PDE5A (0.56) PDE5ASMN1; SMN2TP53ABCG2CYP2D6
SCHEMBL3110558 0.78 EGFR (0.73) PDE5AACP1EGFRPDGFRBKDR
SCHEMBL4095375 0.77 ABCG2 (0.74) PDE5ATP53ABCG2LMNAMAPT
SCHEMBL3113356 0.77 PDE5A (0.76) PDE5ASMN1; SMN2ABCG2CYP2D6CYP1A2
SCHEMBL4084636 0.76 MEN1 (0.65) PDE5ASMN1; SMN2ABCG2CYP2D6CYP1A2
SCHEMBL1085418 0.75 PDE5A (1.00) PDE5ASMN1; SMN2TP53ABCG2CYP2D6
SCHEMBL4096816 0.74 TP53 (0.61) PDE5ASMN1; SMN2TP53ABCG2CYP2D6
SCHEMBL13734547 0.74 PDE5A (0.53) PDE5ASMN1; SMN2TP53ABCG2CYP2D6

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

“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.