SCHEMBL12296904

SCHEMBL12296904

CC(C)CNc1c(NCl)c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 1/20 0.42
▸ TLR7 Q9NYK1 2/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ RAD52 P43351 2/20 0.40
▸ APP P05067 2/20 0.38
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ESR1 P03372 2/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ CACNA2D1 P54289 5/20 0.37
▸ SLC2A1 P11166 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ KDM1A O60341 1/20 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
SCHEMBL14078885 0.89 ACP1 (0.43) ACP1TLR7KMT2APOLBRAD52
SCHEMBL12245207 0.86 ACP1 (0.43) ACP1TLR7KMT2APOLBRAD52
SCHEMBL7831685 0.85 KDM4E (0.43) ACP1TLR7KMT2APOLBRAD52
SCHEMBL12296506 0.82 ACP1 (0.38) ACP1TLR7KMT2APOLBRAD52
SCHEMBL12245264 0.80 KDM4E (0.59) KMT2APOLBMEN1KDM4EMAPT
SCHEMBL843109 0.69 KDM4E (0.49) ACP1TLR7KMT2APOLBRAD52
SCHEMBL31197385 0.69 KDM4E (0.49) ACP1TLR7KMT2APOLBRAD52
SCHEMBL8123589 0.68 ESR1 (0.35) TLR7KMT2AMEN1KDM4EMAPT
SCHEMBL12245273 0.67 POLB (0.39) TLR7KMT2APOLBRAD52APP
SCHEMBL8124811 0.66 ESR1 (0.40) TLR7KMT2APOLBMEN1MAPT

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 3 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-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

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 ACP1 3545/4885TLR7 13/4885KMT2A 732/4885
US-20110217323-A1 IMIDAZOQUINOLINE COMPOUNDS IFNG, IRF3, MYD88 ACP1 3545/4885TLR7 13/4885KMT2A 732/4885
US-20080213308-A1 Imidazoquinoline Compounds IFNG, IRF3, MYD88 ACP1 3545/4885TLR7 13/4885KMT2A 732/4885

“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.

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