SCHEMBL2113965

SCHEMBL2113965

Nc1nc2cc(Br)ccc2c2[nH]cnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.44
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
CHEK1 O14757 1/20 0.40
AKT1 P31749 1/20 0.40
FLT3 P36888 1/20 0.40
PDPK1 O15530 2/20 0.39
JAK2 O60674 2/20 0.39
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
CSNK2A2 P19784 2/20 0.37
CSNK2B P67870 2/20 0.37
CSNK2A1 P68400 2/20 0.37
CSNK2A3 Q8NEV1 2/20 0.37
CDC7 O00311 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL29694218 0.78 TLR7 (0.44) PDPK1ACHEMEN1KMT2AHTT
SCHEMBL212131 0.78 TLR7 (0.44) PDPK1ACHEMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL5523405 0.76 RAB9A (0.44) PDPK1ACHEMEN1KMT2AHTT
SCHEMBL30074868 0.75 PDPK1 (0.33) CHEK1PDPK1MEN1KMT2ALMNA
SCHEMBL6221678 0.75 DPP4 (0.40) PTGESPIM1PIM3CHEK1AKT1
Hydrochloric Acid SCHEMBL10587438 0.75 ALDH1A1 (0.46) PDPK1ACHEMEN1KMT2AHTT
SCHEMBL19513287 0.74 PTGES (0.44) PTGESPDPK1JAK2ACHEHRH4
Hydrochloric Acid SCHEMBL30842203 0.74 PDPK1 (0.33) CHEK1PDPK1MEN1KMT2ALMNA
SCHEMBL29736922 0.74 LIMK1 (0.44) CDC7
Hydrochloric Acid SCHEMBL30324815 0.74 PDPK1 (0.33) CHEK1PDPK1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158794-B2 Hydroxyalkyl substituted imidazoquinoline compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-04-17 US disclosed
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
EP-1851218-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS 3M Innovative Properties Company (US) 2007-11-07 EP disclosed
WO-2006091567-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 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-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods IFNG, IRF3, IFNAR1 PTGES 361/4885PIM1 1785/4885PIM3 1219/4885

“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.