SCHEMBL4757634

SCHEMBL4757634

CCCNn1c(COCC)nc2cnc3cc(OCc4ccccc4)ccc3c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
GRM4 Q14833 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
NMT1 P30419 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
KDR P35968 1/20 0.37
ACSS2 Q9NR19 1/20 0.36
NMT2 O60551 1/20 0.36
KIT P10721 1/20 0.36
LMNA P02545 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
DYRK1A Q13627 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL5420192 0.87 NMT1 (0.44) NMT1MEN1KMT2ANMT2HSP90AA1
SCHEMBL4757632 0.87 NMT1 (0.39) CYP3A4GRM4NMT1MEN1KMT2A
SCHEMBL4824313 0.84 TLR7 (0.40) MEN1KMT2ALMNA
SCHEMBL4753495 0.83 SMN1; SMN2 (0.43) CYP3A4GRM4NMT1MEN1KMT2A
SCHEMBL1486507 0.80 TLR7 (0.47) CYP3A4GRM4NMT1MEN1KMT2A
SCHEMBL4757662 0.79 ACSS2 (0.38) CYP3A4GRM4NMT1MEN1KMT2A
SCHEMBL1486639 0.79 TLR7 (0.46) CYP3A4GRM4MEN1KMT2AACSS2
SCHEMBL1486772 0.79 TLR7 (0.54) CYP3A4GRM4NMT1ACSS2NMT2
SCHEMBL1486736 0.78 BRD4 (0.40) NMT1MEN1KMT2AMAPTNMT2
SCHEMBL4817670 0.78 TLR7 (0.41) CYP3A4MEN1KMT2AMAPTLMNA

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 CYP3A4 1657/4885GRM4 2083/4885HDAC3 836/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 CYP3A4 1657/4885GRM4 2083/4885HDAC3 836/4885

“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.