SCHEMBL4757052

SCHEMBL4757052

CCCc1nc2cnc3cc(Br)ccc3c2n1NC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
EGFR P00533 2/20 0.31
PTGES O14684 5/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 1/20 0.31
JAK1 P23458 1/20 0.31
GAA P10253 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
ADORA3 P0DMS8 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
SCHEMBL4757946 0.85 HTT (0.37) HTTLMNAPPARGCHRNB2CHRNA7
SCHEMBL4754580 0.84 TLR7 (0.39) HTTLMNASMN1; SMN2NPSR1MEN1
SCHEMBL5415670 0.83 PPARG (0.39) HTTLMNASMN1; SMN2PPARGEGFR
SCHEMBL3866782 0.81 TLR7 (0.43) LMNASMN1; SMN2PPARGPTGESMAPT
SCHEMBL4755162 0.81 ATM (0.34) HTTLMNASMN1; SMN2PPARGPTGES
SCHEMBL4758843 0.80 TLR7 (0.46)
SCHEMBL4757237 0.78 TLR7 (0.45) LMNASMN1; SMN2ADORA3
SCHEMBL4758727 0.78 EGFR (0.38) HTTSMN1; SMN2PPARGEGFRNPSR1
SCHEMBL5617910 0.76 PPARG (0.35) PPARGNPSR1BRD4GAARXFP1
SCHEMBL4757047 0.76 PPARG (0.33) HTTLMNASMN1; SMN2PPARGCCNC

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 HTT 3823/4885LMNA 3863/4885SMN1; SMN2 2646/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 HTT 3823/4885LMNA 3863/4885SMN1; SMN2 2646/4885

“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.