SCHEMBL2709418

SCHEMBL2709418

Cc1nc2cnc3ccccc3c2n1OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PIK3CA P42336 9/20 0.39
PIK3CD O00329 7/20 0.39
MTOR P42345 6/20 0.39
KDM4E B2RXH2 2/20 0.38
GPR3 P46089 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR7 Q9NYK1 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
PDPK1 O15530 1/20 0.34
AKT1 P31749 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL2707466 0.85 TLR7 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL2707323 0.84 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19PIK3CA
SCHEMBL2707291 0.82 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL2709372 0.82 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19PIK3CA
SCHEMBL2709358 0.80 KDM4E (0.38) ALDH1A1CYP1A2PIK3CAPIK3CDMTOR
SCHEMBL2707520 0.78 TLR7 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL2706492 0.78 TLR7 (0.45) ALDH1A1TLR7ADORA3
SCHEMBL2707615 0.77 TLR7 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19TLR7
SCHEMBL2708519 0.77 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL9216070 0.75 PIK3CA (0.49) ALDH1A1CYP1A2PIK3CAPIK3CDMTOR

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
EP-1789042-B1 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2012-05-02 EP disclosed
US-7579359-B2 1-alkoxy 1H-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-08-25 US disclosed
EP-1789042-A4 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090005376-A1 imidazonaphthyridines, imidazopyridines, imidazoquinolines, and imidazote-trahydroquinolines; immunomodulators for inducing cytokine biosynthesis; for treatment of viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 US disclosed
EP-1789042-A2 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-30 EP disclosed
WO-2006028962-A2 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 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-20090005376-A1 imidazonaphthyridines, imidazopyridines, imidazoquinolines, and imidazote-trahydroquinolines; immunomodulators for inducing cytokine biosynthesis; for treatment of viral and neoplastic diseases IL2, IL4, IRF3 ALDH1A1 1123/4885CYP1A2 1836/4885CYP2C9 4063/4885

“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.