SCHEMBL2709438

SCHEMBL2709438

CCCc1nc2cnc3ccccc3c2n1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE10A Q9Y233 1/20 0.40
TLR7 Q9NYK1 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
BLM P54132 1/20 0.38
USP2 O75604 1/20 0.38
ADORA3 P0DMS8 2/20 0.38

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
SCHEMBL2708176 0.88 MEN1 (0.43) KDM4EHSP90AB1MAPK1HSD17B10PDE10A
SCHEMBL2708237 0.88 TLR7 (0.44) KDM4EHSP90AB1MAPK1HSD17B10PDE10A
SCHEMBL2707597 0.85 HPGD (0.45) KDM4EHSP90AB1MAPK1HSD17B10PDE10A
SCHEMBL2709485 0.85 TLR7 (0.39) KDM4EHSP90AB1MAPK1HSD17B10PDE10A
SCHEMBL2707501 0.81 TLR7 (0.47) MAPK1TLR7ALDH1A1SMN1; SMN2ADORA3
SCHEMBL22300852 0.80 TLR7 (0.42) TLR7SMN1; SMN2ADORA3
SCHEMBL2709388 0.80 KDM4E (0.43) KDM4EHSP90AB1MAPK1HSD17B10PDE10A
SCHEMBL4755797 0.80 SMN1; SMN2 (0.49) KDM4EHSP90AB1MAPK1HSD17B10PDE10A
SCHEMBL4793082 0.78 TLR7 (0.43) KDM4EHSP90AB1MAPK1HSD17B10PDE10A
SCHEMBL10123169 0.78 TLR7 (0.50) KDM4EHSP90AB1MAPK1HSD17B10PDE10A

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 2441/4885HSP90AB1 2771/4885MAPK1 2336/4885

“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.