SCHEMBL13645285

SCHEMBL13645285

Nc1cnc2ccccc2c1NCCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.42
KDM1A O60341 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GPR3 P46089 1/20 0.39
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
POLB P06746 2/20 0.38
RAD52 P43351 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
FERMT2 Q96AC1 1/20 0.37
LRRK2 Q5S007 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7218710 0.86 POLB (0.45) KDM4EPOLBRAD52KMT2AHTR1A
SCHEMBL6787115 0.84 HRH3 (0.45) POLBRAD52KMT2AHTR1AADRA1D
SCHEMBL9837697 0.83 MEN1 (0.42) NCF1KDM1AKDM4EGPR3PI4KA
SCHEMBL12665011 0.83 POLB (0.44) NCF1KDM1AKDM4EGPR3PI4KA
Hydrochloric Acid SCHEMBL10731384 0.82 MEN1 (0.41) NCF1KDM1AKDM4EGPR3KMT2A
SCHEMBL6096807 0.82 HTR1A (0.51) POLBRAD52HTR1AADRA1DADRA1A
SCHEMBL18843434 0.81 APP (0.50) KDM4EPOLBRAD52KMT2AMITF
SCHEMBL213063 0.81 KMT2A (0.63) KDM4EPOLBRAD52KMT2AALDH1A1
SCHEMBL6493232 0.81 KDM4E (0.61) NCF1KDM4EPOLBRAD52KMT2A
SCHEMBL3641050 0.81 POLB (0.41) NCF1KDM1AKDM4EGPR3PI4KA

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-8735421-B2 Imidazoquinolinyl sulfonamides 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-05-27 US disclosed
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY 2009-03-05 US disclosed
US-7288550-B2 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-30 US disclosed
US-7276515-B2 Thioether substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-10-02 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 (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-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES IL2, EIF2AK2, IFNG NCF1 336/4885KDM1A 4694/4885KDM4E 4260/4885

“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.