SCHEMBL213639

SCHEMBL213639

OCCCn1c(O)nc2c(Cl)nc3ccccc3c21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
TLR7 Q9NYK1 6/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PIM3 Q86V86 3/20 0.42
PIM1 P11309 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TLR8 Q9NR97 4/20 0.38
ADORA3 P0DMS8 1/20 0.38
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL211357 0.90 TLR7 (0.38) TSHRTLR7TLR8
SCHEMBL204508 0.86 TSHR (0.46) TSHRTLR7MEN1KMT2APIM3
SCHEMBL211223 0.82 TLR7 (0.51) TLR7TLR8
SCHEMBL213613 0.81 TLR7 (0.54) TLR7TLR8
SCHEMBL213281 0.79 TLR7 (0.35) TLR7MEN1KMT2ATLR8POLB
SCHEMBL6107502 0.77 TLR7 (0.52) TSHRTLR7MEN1KMT2AALDH1A1
SCHEMBL6723551 0.76 TLR7 (0.52) TLR7TLR8
SCHEMBL211716 0.75 TLR7 (0.53) TLR7ALDH1A1TLR8
SCHEMBL214737 0.75 TSHR (0.36) TSHRTLR7ALDH1A1CYP1A2CYP3A4
SCHEMBL6926668 0.75 IDO1 (0.40) TLR7MEN1KMT2ATLR8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948173-B1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2013-07-17 EP disclosed
US-8377957-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-19 US disclosed
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2012-03-22 US disclosed
US-8088790-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS PFIZER INC. 2009-09-03 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 (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-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 TSHR 2925/4885TLR7 58/4885MEN1 3863/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 TSHR 2925/4885TLR7 58/4885MEN1 3863/4885

“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.