SCHEMBL4336578

SCHEMBL4336578

[CH2]CCCNc1c(N)cnc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
RAD52 P43351 3/20 0.44
HRH3 Q9Y5N1 3/20 0.44
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
SLC2A1 P11166 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40

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
SCHEMBL3641050 0.91 POLB (0.41) POLBRAD52HRH3RAB9AKMT2A
SCHEMBL6096807 0.89 HTR1A (0.51) POLBRAD52HRH3SLC2A1BCHE
SCHEMBL7218710 0.87 POLB (0.45) POLBRAD52HRH3RAB9AKMT2A
SCHEMBL6787115 0.85 HRH3 (0.45) POLBRAD52HRH3RAB9AKMT2A
SCHEMBL5118839 0.85 S1PR2 (0.49) POLBRAD52HRH3RAB9AKMT2A
SCHEMBL10728537 0.85 POLB (0.63) POLBRAD52HRH3RAB9AKMT2A
SCHEMBL4313700 0.84 POLB (0.57) POLBRAD52HRH3RAB9AKMT2A
SCHEMBL10589295 0.83 S1PR2 (0.57) POLBRAD52HRH3RAB9AKMT2A
SCHEMBL9602243 0.83 S1PR2 (0.57) POLBRAD52HRH3RAB9AKMT2A
SCHEMBL31197371 0.83 S1PR2 (0.57) POLBRAD52HRH3RAB9AKMT2A

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-9908880-B2 Substituted imidazoquinolines 4SC AG (DE) 2018-03-06 US disclosed
EP-2386557-B1 Novel substituted imidazoquinolines 4SC DISCOVERY GMBH (DE) 2018-01-10 EP disclosed
US-20170029422-A1 NOVEL SUBSTITUTED IMIDAZOQUINOLINES 4SC AG (DE) 2017-02-02 US disclosed
EP-2276486-B1 NOVEL SUBSTITUTED IMIDAZOQUINOLINES 4SC DISCOVERY GMBH (DE) 2013-08-28 EP disclosed
WO-2009118296-A2 NOVEL SUBSTITUTED IMIDAZOQUINOLINES 4SC AG (DE) 2009-10-01 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-20170029422-A1 NOVEL SUBSTITUTED IMIDAZOQUINOLINES TLR7, TLR1, TLR4 POLB 2631/4885RAD52 1019/4885HRH3 445/4885

“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.