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SCHEMBL4088138

SCHEMBL4088138

CC(=O)NOCc1nc2c(N)nc3c(c2n1CC(C)C)CCCC3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 13/20 0.37
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ CASP1 P29466 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ TLR8 Q9NR97 6/20 0.33
▸ TSHR P16473 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ EEF2K O00418 1/20 0.31
▸ GLA P06280 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ ATM Q13315 1/20 0.30

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
SCHEMBL13888876 0.85 TLR7 (0.36) TLR7
Hydrochloric Acid SCHEMBL4523887 0.84 TLR7 (0.36) TLR7
SCHEMBL8115012 0.84 TLR7 (0.41) TLR7KDM4EALDH1A1GAAHPGD
SCHEMBL1490830 0.84 TLR7 (0.41) TLR7KDM4EHPGDTLR8
SCHEMBL1490659 0.82 TLR7 (0.37) TLR7ALDH1A1HSD17B10TLR8GLA
SCHEMBL1490647 0.81 TLR7 (0.38) TLR7KDM4EALDH1A1GAAHPGD
SCHEMBL8113805 0.80 TLR7 (0.39) TLR7KDM4EALDH1A1GAAHPGD
SCHEMBL5124071 0.80 TLR7 (0.36) TLR7KDM4EALDH1A1GAAHPGD
SCHEMBL8113959 0.80 TLR7 (0.45) TLR7KDM4EHPGDTLR8MEN1
Hydrochloric Acid SCHEMBL1490823 0.78 TLR7 (0.38) TLR7KDM4EHPGDTLR8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598192-B2 Hydroxylamine substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-12-03 — — US disclosed
EP-1682544-A4 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2009-05-06 — — EP disclosed
US-20090105295-A1 HYDROXYLAMINE SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-04-23 — — US disclosed
US-20090105295-A1 HYDROXYLAMINE SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-04-23 — — US disclosed
US-20090105295-A1 HYDROXYLAMINE SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-04-23 — — US disclosed
EP-1682544-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-07-26 — — EP disclosed
WO-2005048945-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 — — 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-20090105295-A1 HYDROXYLAMINE SUBSTITUTED IMIDAZOQUINOLINES IL2, IL4, IFNG TLR7 54/4885KDM4E 2357/4885ALDH1A1 910/4885

“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.