SCHEMBL4754580

SCHEMBL4754580

CCCc1nc2cnc3ccccc3c2n1NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.39
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HSP90AB1 P08238 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
USP2 O75604 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL4757237 0.93 TLR7 (0.45) TLR7MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL4824309 0.84 TLR7 (0.40) TLR7PDE10AHSD17B10MEN1KMT2A
SCHEMBL4757052 0.84 HTT (0.33) GAANPSR1MEN1KMT2ALMNA
SCHEMBL4756090 0.81 NPSR1 (0.47) KDM4EHSP90AB1MAPK1HSD17B10GAA
SCHEMBL4756374 0.80 LRRK2 (0.39) TLR7KDM4EGAAMEN1KMT2A
SCHEMBL4757171 0.78 TLR7 (0.61) TLR7
SCHEMBL2709388 0.78 KDM4E (0.43) TLR7PDE10AKDM4EHSP90AB1MAPK1
SCHEMBL4755797 0.78 SMN1; SMN2 (0.49) TLR7PDE10AKDM4EHSP90AB1MAPK1
SCHEMBL4757247 0.77 TLR7 (0.46) TLR7MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL2708176 0.75 MEN1 (0.43) TLR7PDE10AKDM4EHSP90AB1MAPK1

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 TLR7 146/4885PDE10A 4276/4885KDM4E 2772/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 TLR7 146/4885PDE10A 4276/4885KDM4E 2772/4885

“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.