SCHEMBL4403172

SCHEMBL4403172

N#Cc1cnc(Nc2ccc(N3CCOCC3)cc2)cc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.52
JAK1 P23458 4/20 0.51
JAK2 O60674 4/20 0.51
TBK1 Q9UHD2 3/20 0.50
TNIK Q9UKE5 1/20 0.50
JAK3 P52333 3/20 0.49
TYK2 P29597 1/20 0.48
MAPK9 P45984 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NSD2 O96028 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IKBKE Q14164 2/20 0.46
SLC2A1 P11166 1/20 0.46

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
SCHEMBL5027836 0.87 TBK1 (0.49) MAPK10JAK1JAK2TBK1KDM4E
SCHEMBL2697795 0.76 MAPK10 (0.67) MAPK10MAPK9
SCHEMBL4959507 0.73 MAP3K8 (0.53) LMNAMAPTHTTSMN1; SMN2
SCHEMBL3405312 0.72 MAPK10 (0.62) MAPK10MAPTTSHR
SCHEMBL3399758 0.72 MAPK10 (0.54) MAPK10JAK2JAK3LMNAMAPT
SCHEMBL18890024 0.71 MAPK10 (0.45) MAPK10JAK1JAK2TBK1TNIK
SCHEMBL17660799 0.71 TBK1 (0.73) MAPK10JAK2TBK1
SCHEMBL374117 0.71 CD274 (0.57) MAPK10JAK1JAK2JAK3TYK2
SCHEMBL374409 0.70 CD274 (0.59) MAPK10JAK1JAK2JAK3TYK2
SCHEMBL2194198 0.70 JAK2 (0.56) MAPK10JAK1JAK2JAK3MAPT

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 MAPK10 260/4885JAK1 2/4885JAK2 1/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK MAPK10 260/4885JAK1 2/4885JAK2 1/4885

“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.