SCHEMBL2709358

SCHEMBL2709358

Cc1nc2cnc3ccccc3c2n1OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
GPR3 P46089 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CA P42336 7/20 0.37
MTOR P42345 5/20 0.37
PIK3CD O00329 4/20 0.37
TLR7 Q9NYK1 2/20 0.36
CYP1A2 P05177 1/20 0.36
PIK3CG P48736 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDPK1 O15530 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL2709418 0.80 ALDH1A1 (0.45) KDM4EMAPTGPR3MEN1GAA
SCHEMBL2707342 0.77 KDM4E (0.36) KDM4EGPR3MEN1GAAKMT2A
SCHEMBL9216070 0.75 PIK3CA (0.49) KDM4EMAPTGPR3MEN1GAA
SCHEMBL2707269 0.75 TLR7 (0.55) MAPTMEN1GAAKMT2ATLR7
SCHEMBL2706415 0.75 TSHR (0.47) MAPTGAACYP1A2LMNATP53
SCHEMBL2707399 0.74 KDM4E (0.38) KDM4EMAPTGPR3GAAPIK3CA
SCHEMBL10123202 0.74 KDM4E (0.43) KDM4EMAPTGPR3MEN1GAA
SCHEMBL2682715 0.74 KDM4E (0.43) KDM4EMAPTGPR3MEN1GAA
Ammonia Solution, Strong SCHEMBL28506046 0.74 PIK3CA (0.48) KDM4EMAPTGPR3MEN1GAA
Hydrochloric Acid SCHEMBL4758757 0.73 KDM4E (0.53) KDM4EMAPTGPR3MEN1GAA

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 3 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
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

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 KDM4E 2441/4885MAPT 4365/4885GPR3 1280/4885

“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.