SCHEMBL4757047

SCHEMBL4757047

CCCc1nc2cnc3cc(Br)ccc3c2n1N=C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.33
PTGES O14684 8/20 0.33
LMNA P02545 4/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 3/20 0.32
TSHR P16473 2/20 0.32
ALOX12 P18054 2/20 0.32
ALDH1A1 P00352 2/20 0.32
JAK2 O60674 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PKM P14618 1/20 0.32
GFER P55789 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 3/20 0.31
RAB9A P51151 2/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL4757319 0.83 LMNA (0.42) LMNAKDM4EGAATSHRALOX12
SCHEMBL4755162 0.80 ATM (0.34) PPARGPTGESLMNAKDM4ETSHR
SCHEMBL5415670 0.77 PPARG (0.39) PPARGLMNAKDM4EGAATSHR
SCHEMBL4757946 0.77 HTT (0.37) PPARGPTGESLMNAMEN1MAPT
SCHEMBL4758389 0.77 TLR7 (0.45) LMNAALDH1A1SMN1; SMN2
SCHEMBL3169725 0.76 TLR7 (0.43) PPARGTSHRALDH1A1PKMMEN1
SCHEMBL3863839 0.76 TLR7 (0.46) PPARG
SCHEMBL3866782 0.76 TLR7 (0.43) PPARGPTGESLMNATSHRALDH1A1
SCHEMBL4757052 0.76 HTT (0.33) PPARGPTGESLMNAGAAMEN1
SCHEMBL5617953 0.75 PPARG (0.38) PPARGSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605943-A4 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2008-01-16 EP disclosed
US-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 US disclosed
WO-2006028451-A1 1-AMINO 1-H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed
EP-1605943-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-12-21 EP disclosed
US-20050054640-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 US disclosed
WO-2004080398-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-09-23 WO disclosed
US-20040176367-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 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-20040176367-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 PPARG 806/4885PTGES 412/4885LMNA 3863/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 PPARG 806/4885PTGES 412/4885LMNA 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.