SCHEMBL3872025

SCHEMBL3872025

Oc1nc2cnc3ccccc3c2n1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
GPR3 P46089 1/20 0.44
ERN1 O75460 1/20 0.40
ADORA3 P0DMS8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TLR7 Q9NYK1 2/20 0.35
CYP1A2 P05177 1/20 0.34
BCHE P06276 1/20 0.34
PDE10A Q9Y233 1/20 0.34
TOP2A P11388 1/20 0.33
TP53 P04637 1/20 0.33
PDPK1 O15530 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL2682715 0.81 KDM4E (0.43) KDM4EGPR3ALDH1A1HSD17B10GAA
SCHEMBL5410294 0.81 KDM4E (0.43) KDM4EGPR3ERN1ADORA3ALDH1A1
SCHEMBL2708089 0.79 TLR7 (0.48) KDM4EADORA3ALDH1A1HPGDGAA
SCHEMBL2682714 0.78 KDM4E (0.42) KDM4EGPR3ALDH1A1HPGDTLR7
SCHEMBL787541 0.75 TLR7 (0.45) KDM4EALDH1A1HPGDTLR7
SCHEMBL2709388 0.75 KDM4E (0.43) KDM4EADORA3ALDH1A1HPGDHSD17B10
SCHEMBL204712 0.74 PDE10A (0.39) KDM4EGPR3ADORA3ALDH1A1TLR7
SCHEMBL205505 0.73 TLR7 (0.41) KDM4EGPR3TLR7PDE10A
SCHEMBL4135751 0.72 TLR7 (0.45) KDM4EGPR3ALDH1A1TLR7PDE10A
SCHEMBL204996 0.71 KDM4E (0.42) KDM4EGPR3ERN1ADORA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 US disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 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 (2 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-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 KDM4E 2963/4885GPR3 3118/4885ERN1 2451/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 KDM4E 2963/4885GPR3 3118/4885ERN1 2451/4885

“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.