SCHEMBL4079869

SCHEMBL4079869

Cc1nc(N)c2nc(CONC(C)C)n(CCCCNC(=O)C(C)C)c2c1C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
TLR8 Q9NR97 3/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C9 P11712 2/20 0.31
BRD4 O60885 1/20 0.31
CYP2D6 P10635 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
RECQL P46063 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
SCHEMBL4078594 0.86 TLR7 (0.43) TLR7TLR8SMN1; SMN2CYP1A2CYP2C19
SCHEMBL1490715 0.85 TLR7 (0.32) TLR7MTNR1AMTNR1BTLR8LMNA
SCHEMBL6094673 0.84 TLR7 (0.40) TLR7TLR8
SCHEMBL5030528 0.81 TLR7 (0.40) TLR7TLR8CYP1A2CYP2C19CYP3A4
SCHEMBL4078585 0.81 TLR7 (0.34) TLR7TLR8
SCHEMBL6097539 0.80 KMT2A (0.36) TLR7MTNR1AMTNR1BLMNASMN1; SMN2
SCHEMBL6096758 0.76 MEN1 (0.42) TLR7MTNR1AMTNR1BSMN1; SMN2CYP1A2
SCHEMBL4794699 0.75 CYP1A2 (0.39) TLR7TLR8LMNASMN1; SMN2CYP1A2
SCHEMBL6782966 0.75 TLR7 (0.39) TLR7TLR8
SCHEMBL5348338 0.74 TLR7 (0.41) TLR7TLR8CYP1A2CYP2C19CYP2C9

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 54/4885MTNR1A 386/4885MTNR1B 320/4885

“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.