SCHEMBL1490884

SCHEMBL1490884

CC(C)Cn1c(CCl)nc2cnc3cccnc3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
HTR2A P28223 3/20 0.36
HTR2B P41595 3/20 0.36
HTR2C P28335 2/20 0.36
LMNA P02545 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR7 Q9NYK1 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
HRH2 P25021 1/20 0.33
ADRA1D P25100 1/20 0.33
ADORA2A P29274 1/20 0.33
ADRA1A P35348 1/20 0.33
NUDT1 P36639 1/20 0.33
PDE4D Q08499 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL192522 0.89 TSHR (0.42) TP53HTR2AHTR2BHTR2CLMNA
SCHEMBL3355085 0.84 TLR7 (0.45) KDM4ETLR7PDE4DGLA
SCHEMBL191697 0.83 LMNA (0.39) TP53HTR2AHTR2BHTR2CLMNA
SCHEMBL1490771 0.82 LMNA (0.43) HTR2AHTR2BLMNAMEN1KMT2A
SCHEMBL1490839 0.81 TLR7 (0.41) MEN1KMT2ATLR7NUDT1TLR8
SCHEMBL1490382 0.81 TLR7 (0.47) HTR2AHTR2BLMNATLR7POLB
SCHEMBL1490502 0.79 DPP4 (0.35) TLR7ADORA2A
Hydrochloric Acid SCHEMBL1233387 0.79 TDP1 (0.40) TP53LMNAMEN1KMT2AKDM4E
SCHEMBL1490704 0.78 CYP2C9 (0.47) TP53LMNAMEN1KMT2ANPSR1
SCHEMBL5124109 0.78 TP53 (0.32) TP53HTR2AHTR2BHTR2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598192-B2 Hydroxylamine substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-12-03 US disclosed
US-7897767-B2 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
EP-1682544-A4 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2009-05-06 EP disclosed
US-20090105295-A1 HYDROXYLAMINE SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-04-23 US disclosed
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. 2009-02-12 US disclosed
EP-1685129-A4 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-10-22 EP disclosed
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-17 US disclosed
US-20070259881-A1 Substituted Imidazo Ring Systems and Methods COLEY PHARMACEUTICAL GROUP, INC. 2007-11-08 US disclosed
EP-1685129-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-08-02 EP disclosed
EP-1682544-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-07-26 EP disclosed
WO-2006009832-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-01-26 WO disclosed
WO-2005123079-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-29 WO disclosed
WO-2005048933-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 WO disclosed
WO-2005048945-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 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 (4 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-20070259881-A1 Substituted Imidazo Ring Systems and Methods IL2, IL4, IRF3 TP53 111/4885HTR2A 2973/4885HTR2B 4145/4885
US-20090105295-A1 HYDROXYLAMINE SUBSTITUTED IMIDAZOQUINOLINES IL2, IL4, IFNG TP53 99/4885HTR2A 311/4885HTR2B 644/4885
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES IFNG, IL2, IRF3 TP53 410/4885HTR2A 3237/4885HTR2B 3443/4885
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines IL2, EIF2AK2, IL4 TP53 69/4885HTR2A 4143/4885HTR2B 4518/4885

“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.