SCHEMBL4091164

SCHEMBL4091164

Clc1ccc(-c2nc(NCc3ccccc3)c3ccccc3n2)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.65
MAPK1 P28482 3/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 2/20 0.63
TSHR P16473 2/20 0.63
CYP2C19 P33261 2/20 0.63
USP2 O75604 1/20 0.63
ALDH1A1 P00352 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
MAPT P10636 2/20 0.62
POLB P06746 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
USP1 O94782 5/20 0.61
WDR48 Q8TAF3 5/20 0.61
GBA1 P04062 1/20 0.61
ATM Q13315 1/20 0.61
APP P05067 3/20 0.59

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
SCHEMBL1083779 0.87 CYP1A2 (0.80) PDE5AMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL3107341 0.84 METAP1 (0.59) PDE5AMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL13300218 0.82 MEN1 (0.55) PDE5AMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL4092207 0.82 PDE5A (0.56) PDE5AMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL2583256 0.82 PDE5A (0.90) PDE5AMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL13300292 0.81 METAP1 (0.53) PDE5AMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL1064866 0.81 PDE5A (0.86) PDE5AMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL13357344 0.81 CYP1A2 (0.50) PDE5AMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL13300144 0.80 CYP1A2 (0.58) PDE5AMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL13300216 0.80 CYP1A2 (0.49) PDE5AMAPK1CYP1A2CYP3A4CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO 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
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 1861/4885MAPK1 2435/4885CYP1A2 2477/4885

“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.