SCHEMBL4755162

SCHEMBL4755162

CCCc1nc2cnc3cc(Br)ccc3c2n1N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
PPARG P37231 1/20 0.34
PTGES O14684 6/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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 0.81 HTT (0.37) BRD4LMNAPPARGPTGESMEN1
SCHEMBL4755797 0.81 SMN1; SMN2 (0.49) ATMSMN1; SMN2LMNATSHRMEN1
SCHEMBL3866782 0.81 TLR7 (0.43) SMN1; SMN2BRD4LMNATSHRPPARG
SCHEMBL4757052 0.81 HTT (0.33) SMN1; SMN2BRD4LMNAPPARGPTGES
SCHEMBL4757047 0.80 PPARG (0.33) SMN1; SMN2LMNATSHRPPARGPTGES
SCHEMBL5415670 0.80 PPARG (0.39) ATMSMN1; SMN2LMNATSHRPPARG
SCHEMBL3169725 0.79 TLR7 (0.43) BRD4TSHRPPARGMEN1KMT2A
SCHEMBL3863839 0.79 TLR7 (0.46) BRD4PPARGTLR8TLR7
SCHEMBL29883069 0.78 ADORA3 (0.40) SMN1; SMN2TLR8TLR7ADORA3
SCHEMBL22323653 0.78 ADORA3 (0.40) SMN1; SMN2TLR8TLR7ADORA3

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 ATM 3198/4885SMN1; SMN2 2646/4885BRD4 178/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 ATM 3198/4885SMN1; SMN2 2646/4885BRD4 178/4885

“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.