SCHEMBL3864752

SCHEMBL3864752

O=C(NCCCCCCn1cnc2cnc3ccccc3c21)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.48
DRD3 P35462 3/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPK10 P53779 1/20 0.46
MAPK14 Q16539 1/20 0.46
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
NAAA Q02083 1/20 0.45
HTR1A P08908 3/20 0.44
HTR2A P28223 3/20 0.44
HTR7 P34969 1/20 0.44

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
SCHEMBL3866273 1.00 DRD2 (0.48) DRD2DRD3KDM4EMAPK10MAPK14
SCHEMBL3863638 0.96 MAPK10 (0.49) DRD2DRD3KDM4EMAPK10MAPK14
SCHEMBL4759465 0.85 POLB (0.45) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL4149860 0.83 SMN1; SMN2 (0.51) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL3863900 0.82 TLR7 (0.53) DRD2DRD3KDM4EMAPK10MAPK14
SCHEMBL5748391 0.82 TLR7 (0.53) DRD2DRD3KDM4EMAPK10MAPK14
SCHEMBL3866002 0.82 TLR7 (0.53) DRD2DRD3KDM4EMAPK10MAPK14
SCHEMBL5617084 0.82 EGLN3 (0.49) DRD2DRD3HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL3863251 0.81 TLR7 (0.52) DRD2DRD3MAPK10MAPK14HDAC3
SCHEMBL3862412 0.81 TLR7 (0.53) DRD2DRD3KDM4EMAPK10MAPK14

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
US-7393859-B2 Amide substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-07-01 US disclosed
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP disclosed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP disclosed
US-20040229897-A1 Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-11-18 US disclosed
US-6756382-B2 SECONDARY AMIDES SUCH AS N-(4-(4-AMINO-2-(2-METHOXYETHYL)-1H-IMIDAZO(4,5-C)QUINOLIN-1-YL)BUTYL)-1 -METHYL-5-OXO-2-PYRIDIN-3-YLPYRROLIDINE-3-CARBOXAMIDE; BIOSYNTHESIS OF CYTOKINES; PROPYLAXIS OF VIRAL DISEASES; IMMUNOLOGY MODULATORS 3M INNOVATIVE PROPERTIES COMPANY 2004-06-29 US disclosed
US-20030144283-A1 Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-07-31 US disclosed
US-6451810-B1 AID IN CYTOKINE BIOSYNTHESIS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-17 US disclosed
EP-1187613-A4 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP disclosed
EP-1187613-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-03-20 EP disclosed
WO-2000076505-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO 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 (3 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-20040229897-A1 Amide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 DRD2 4682/4885DRD3 4745/4885KDM4E 1096/4885
US-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES IFNG, IRF3, EIF2AK2 DRD2 4682/4885DRD3 4745/4885KDM4E 1096/4885
US-20030144283-A1 Amide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 DRD2 4682/4885DRD3 4745/4885KDM4E 1096/4885

“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.