Sugi Predict

Sugi Predict / Compounds / SCHEMBL1486547

SCHEMBL1486547

SCHEMBL1486547

CCCc1nc2cnc3cc(Oc4ccc([N+](=O)[O-])cc4)ccc3c2n1CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 5/20 0.42
▸ CNR2 P34972 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 3/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAOB P27338 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ EPAS1 Q99814 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
SCHEMBL1486490 0.84 TLR7 (0.63) TLR7
SCHEMBL1486436 0.77 TLR7 (0.45) TLR7MAPTLMNASMN1; SMN2MEN1
SCHEMBL22559045 0.77 TLR7 (0.68) TLR7MAPT
SCHEMBL1486541 0.77 TLR7 (0.60) TLR7
SCHEMBL1486471 0.76 TLR7 (0.58) TLR7CNR2MAPTLMNAALDH1A1
SCHEMBL3866782 0.76 TLR7 (0.43) TLR7MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1486489 0.76 TLR7 (0.59) TLR7MAOB
SCHEMBL5807920 0.75 TLR7 (0.43) TLR7MAPTLMNASMN1; SMN2RAB9A
SCHEMBL4239098 0.73 TLR7 (0.41) TLR7
SCHEMBL4250380 0.73 TLR7 (0.40) TLR7SMN1; SMN2RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658076-B1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2013-03-06 — — EP disclosed
US-8263594-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-09-11 — — US disclosed
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2011-06-16 — — US disclosed
US-7897597-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 — — US disclosed
EP-1658076-A4 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-02-25 — — EP disclosed
US-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2009-01-15 — — US disclosed
EP-1658076-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-05-24 — — EP disclosed
WO-2005020999-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 — — 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-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines IL2, IFNG, IRF3 TLR7 45/4885CNR2 1296/4885MAPT 4765/4885
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 42/4885CNR2 933/4885MAPT 4760/4885

“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.