Sugi Predict

Sugi Predict / Compounds / SCHEMBL12245244

SCHEMBL12245244

SCHEMBL12245244

COCCN(C)c1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ CRHR1 P34998 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TLR7 Q9NYK1 8/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ NUDT1 P36639 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL14866402 0.89 TLR7 (0.37) PIM1PDE5ATLR7LMNAPOLB
SCHEMBL29988385 0.88 TLR7 (0.39) PIM1TLR7PDE4DCYP3A4ALOX15
SCHEMBL146804 0.88 TLR7 (0.39) PIM1TLR7PDE4DCYP3A4ALOX15
SCHEMBL143565 0.86 TLR7 (0.39) PIM1PDE5ATLR7MEN1KMT2A
SCHEMBL30448090 0.86 TLR7 (0.39) PIM1PDE5ATLR7MEN1KMT2A
SCHEMBL12245236 0.84 TLR7 (0.36) PIM1PDE5ATLR7MEN1KMT2A
SCHEMBL12245205 0.82 TLR7 (0.38) PIM1CRHR1TLR7LMNAPOLB
SCHEMBL4620764 0.79 TLR7 (0.34) PIM1PDE5ATLR7LMNAPOLB
SCHEMBL4979244 0.79 TLR7 (0.45) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL12245253 0.79 TLR7 (0.40) PDE5ATLR7MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096103-A1 IMIDAZOQUINOLINE COMPOUNDS NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2013-04-18 — — US disclosed
US-20130096103-A1 IMIDAZOQUINOLINE COMPOUNDS NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2013-04-18 — — US disclosed
US-20110217323-A1 IMIDAZOQUINOLINE COMPOUNDS NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2011-09-08 — — US disclosed
US-20080213308-A1 Imidazoquinoline Compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-09-04 — — US disclosed
US-20080213308-A1 Imidazoquinoline Compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-09-04 — — 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 (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-20130096103-A1 IMIDAZOQUINOLINE COMPOUNDS IFNG, IRF3, MYD88 PIM1 1429/4885PDE5A 2335/4885CRHR1 3260/4885
US-20110217323-A1 IMIDAZOQUINOLINE COMPOUNDS IFNG, IRF3, MYD88 PIM1 1429/4885PDE5A 2335/4885CRHR1 3260/4885
US-20080213308-A1 Imidazoquinoline Compounds IFNG, IRF3, MYD88 PIM1 1429/4885PDE5A 2335/4885CRHR1 3260/4885

“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.