SCHEMBL4090063

SCHEMBL4090063

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.78
SMN1; SMN2 Q16637 4/20 0.67
TP53 P04637 3/20 0.67
MAPT P10636 6/20 0.66
CYP1A2 P05177 4/20 0.66
CYP3A4 P08684 3/20 0.66
CYP2C9 P11712 3/20 0.66
NPSR1 Q6W5P4 2/20 0.66
POLB P06746 1/20 0.66
GBA1 P04062 6/20 0.59
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.53
CYP2D6 P10635 3/20 0.53
HPGD P15428 3/20 0.53
CYP2C19 P33261 3/20 0.53
GLA P06280 2/20 0.53
CASP1 P29466 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 3/20 0.52
TSHR P16473 2/20 0.52

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 0.88 PDE5A (1.00) PDE5ASMN1; SMN2TP53MAPTCYP1A2
SCHEMBL4084599 0.85 PDE5A (0.82) PDE5ASMN1; SMN2TP53MAPTCYP1A2
SCHEMBL4100233 0.82 TP53 (0.63) PDE5ASMN1; SMN2TP53MAPTCYP1A2
SCHEMBL4090453 0.81 PDE5A (0.72) PDE5ASMN1; SMN2TP53MAPTCYP1A2
SCHEMBL22403111 0.80 GBA1 (0.74) PDE5ASMN1; SMN2TP53GBA1
SCHEMBL2592425 0.80 MAPT (1.00) PDE5ASMN1; SMN2TP53MAPTCYP1A2
SCHEMBL4095681 0.79 PDE5A (0.72) PDE5ASMN1; SMN2TP53MAPTCYP1A2
SCHEMBL1083881 0.78 PDE5A (0.78) PDE5ASMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL18353944 0.78 GBA1 (0.93) PDE5ASMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL4096816 0.76 TP53 (0.61) PDE5ASMN1; SMN2TP53MAPTCYP1A2

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.