SCHEMBL213846

SCHEMBL213846

Nc1c(Cl)nc2cccc(Cc3ccccc3)c2c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HTR2A P28223 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TLR8 Q9NR97 1/20 0.38
DCPS Q96C86 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ADCY10 Q96PN6 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MPO P05164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3961169 0.83 DHFR (0.38) DHFRHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL9427790 0.80 DHFR (0.48) DHFRHTR2ATLR8DCPSCYP2D6
SCHEMBL28802703 0.80 TLR8 (0.34) DHFRTLR8DCPS
SCHEMBL29809381 0.80 TLR8 (0.34) DHFRTLR8DCPS
SCHEMBL29809266 0.78 HTT (0.41) KMT2AMEN1HTTTLR8CYP3A4
SCHEMBL28802745 0.78 HTT (0.41) KMT2AMEN1HTTTLR8CYP3A4
SCHEMBL1457319 0.77 GABRA1 (0.37) DHFRKMT2AMEN1HTTTDP1
SCHEMBL1154407 0.76 DHFR (0.75) DHFRDCPS
SCHEMBL5456922 0.76 TLR8 (0.46) DHFRTLR8CYP3A4NPSR1KDM4E
SCHEMBL841926 0.75 ACHE (0.53) TDP1CYP1A2CYP2D6CYP2C19SMN1; SMN2

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 12 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-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 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
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
EP-1948173-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS Coley Pharmaceutical Group, Inc. (US) 2008-07-30 EP disclosed
WO-2007056112-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-05-18 WO disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 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 (3 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 DHFR 257/4885KMT2A 2108/4885MEN1 3863/4885
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 DHFR 129/4885KMT2A 1860/4885MEN1 3048/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 DHFR 257/4885KMT2A 2108/4885MEN1 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.