SCHEMBL4403249

SCHEMBL4403249

N#Cc1cnc(Cl)cc1Nc1ccc(C2CCOCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 9/20 0.40
BCL6 P41182 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
LRRK2 Q5S007 1/20 0.36
PRKCQ Q04759 2/20 0.36
PRKCD Q05655 2/20 0.36
CHEK1 O14757 1/20 0.35
CNR2 P34972 1/20 0.35
JAK2 O60674 1/20 0.35
IKBKE Q14164 3/20 0.35
SYK P43405 1/20 0.35
SERPINE1 P05121 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
SCHEMBL4404486 0.81 CNR2 (0.47) TBK1PRKCQPRKCDCHEK1CNR2
SCHEMBL5027836 0.80 TBK1 (0.49) TBK1JAK2SYK
SCHEMBL4403245 0.77 SYK (0.52) JAK2SYKSERPINE1
SCHEMBL5028086 0.77 MAPKAPK2 (0.45) SYK
SCHEMBL30379210 0.76 GAA (0.50) SYK
SCHEMBL21600850 0.76 GAA (0.50) SYK
SCHEMBL10250899 0.73 SRC (0.36)
SCHEMBL30379953 0.71 VCAM1 (0.47) BCL6JAK2
SCHEMBL26125794 0.70 ALDH1A1 (0.39) PRKCQ
SCHEMBL17076575 0.69 PRKCQ (0.48) PRKCQPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975027-A1 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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 (2 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK TBK1 1315/4885BCL6 318/4885TLR9 739/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK TBK1 1315/4885BCL6 318/4885TLR9 739/4885

“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.