SCHEMBL842243

SCHEMBL842243

Cc1nc(N)c2nc(N)n(CC(C)C)c2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.37
PDE5A O76074 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
TLR7 Q9NYK1 9/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HRH2 P25021 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
NUDT1 P36639 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL8113615 0.87 TLR7 (0.40) PDE4DADORA2AADORA3ADORA2BADORA1
SCHEMBL5119127 0.83 TLR7 (0.40) PDE4DADORA2AADORA3ADORA2BADORA1
SCHEMBL8114799 0.83 TLR7 (0.42) PDE4DADORA2AADORA3ADORA2BADORA1
SCHEMBL2058818 0.82 TLR7 (0.41) PDE4DADORA2AADORA3ADORA2BADORA1
Hydrochloric Acid SCHEMBL2059226 0.81 TLR7 (0.41) PDE4DADORA2AADORA3ADORA2BADORA1
SCHEMBL5508561 0.81 ADORA2A (0.33) PDE4DADORA2AADORA3ADORA2BADORA1
SCHEMBL842373 0.80 TLR7 (0.33) ADORA2AADORA3ADORA2BADORA1TLR7
SCHEMBL4393435 0.78 TLR7 (0.58) TLR7NUDT1TLR8
SCHEMBL2059175 0.77 TLR7 (0.39) ADORA2AADORA3ADORA2BADORA1TLR7
SCHEMBL2059416 0.76 TLR7 (0.32) ADORA2AADORA3ADORA2BADORA1TLR7

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-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 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 (1 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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 PDE4D 1577/4885PDE5A 2443/4885PDE4A 910/4885

“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.