SCHEMBL4404486

SCHEMBL4404486

N#Cc1cnc(Nc2ccc(C3CCOCC3)cc2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
TBK1 Q9UHD2 9/20 0.41
IKBKE Q14164 6/20 0.40
MAP3K8 P41279 2/20 0.39
CHEK1 O14757 1/20 0.39
WEE1 P30291 1/20 0.38
MAP3K12 Q12852 1/20 0.38
TGFBR1 P36897 1/20 0.37
MAPK13 O15264 1/20 0.37
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
SRC P12931 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCI P41743 1/20 0.37
MAPK12 P53778 1/20 0.37
PRKCE Q02156 1/20 0.37
MAP2K1 Q02750 1/20 0.37
PRKCQ Q04759 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
SCHEMBL4403249 0.81 TBK1 (0.40) CNR2TBK1IKBKECHEK1PRKCQ
SCHEMBL4403243 0.77 SYK (0.52) CNR2
SCHEMBL16465498 0.69 PRKCQ (0.43) PRKCQPRKCD
SCHEMBL17645235 0.68 TBK1 (0.43) TBK1SRC
SCHEMBL4403172 0.67 MAPK10 (0.52) TBK1IKBKE
SCHEMBL27196896 0.65 CNR2 (0.41) CNR2TBK1IKBKECHEK1MAP3K12
SCHEMBL30595584 0.65 CNR2 (0.41) CNR2TBK1IKBKECHEK1MAP3K12
SCHEMBL2695855 0.65 SYK (0.55)
SCHEMBL2696749 0.65 SYK (0.49) CNR2
SCHEMBL2696747 0.65 JAK3 (0.51) CNR2

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 CNR2 946/4885TBK1 1315/4885IKBKE 43/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CNR2 946/4885TBK1 1315/4885IKBKE 43/4885

“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.