SCHEMBL4152224

SCHEMBL4152224

CCCc1nc2cnc3ccccc3c2n1CC(OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
BRD4 O60885 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
PDE10A Q9Y233 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL4152493 0.89 SMN1; SMN2 (0.41) TLR7SMN1; SMN2HPGDMAPTLMNA
SCHEMBL5618843 0.87 TLR7 (0.41) TLR7SMN1; SMN2HPGDMAPTLMNA
SCHEMBL4147127 0.80 TLR7 (0.67) TLR7
SCHEMBL5635079 0.79 TSHR (0.44) TLR7SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL10123169 0.78 TLR7 (0.50) TLR7SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL4153678 0.78 LMNA (0.36) TLR7SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL10123173 0.78 SMN1; SMN2 (0.49) TLR7SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL2709388 0.77 KDM4E (0.43) TLR7SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL2709438 0.77 KDM4E (0.40) TLR7SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL5355630 0.76 MAPT (0.43) TLR7SMN1; SMN2HPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765071-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-19 US disclosed
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-07-07 US disclosed
US-9328110-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-05-03 US disclosed
EP-1687307-B1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-01-06 EP disclosed
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-10 US disclosed
EP-1687307-A4 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-06-17 EP disclosed
US-20070072893-A1 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY 2007-03-29 US disclosed
EP-1687307-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M Innovative Properties Company (US) 2006-08-09 EP disclosed
WO-2005051317-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-09 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-20070072893-A1 Substituted imidazo ring systems and methods IL2, IRF3, EIF2AK2 TLR7 162/4885SMN1; SMN2 3448/4885HPGD 411/4885
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 TLR7 155/4885SMN1; SMN2 3376/4885HPGD 294/4885
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 TLR7 155/4885SMN1; SMN2 3376/4885HPGD 294/4885

“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.