SCHEMBL2481086

SCHEMBL2481086

COc1cccc(Nc2cc(NCc3ccccc3)c(C(N)=O)cn2)c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.76
IRAK4 Q9NWZ3 6/20 0.76
JAK2 O60674 3/20 0.76
JAK1 P23458 3/20 0.76
TYK2 P29597 3/20 0.76
PDE4B Q07343 4/20 0.62
CSF1R P07333 1/20 0.61
BTK Q06187 1/20 0.61
SYK P43405 3/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
CNR2 P34972 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
PDE4A P27815 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL2694589 0.90 JAK3 (0.70) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2479684 0.90 JAK3 (0.79) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL12321394 0.89 JAK3 (0.60) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2479678 0.87 JAK3 (1.00) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695782 0.87 JAK3 (0.74) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2693217 0.86 JAK3 (0.81) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL4406931 0.86 JAK3 (0.70) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL912989 0.84 JAK3 (0.78) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2693625 0.84 JAK3 (0.74) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2477069 0.84 JAK3 (0.70) JAK3IRAK4JAK2JAK1TYK2

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 18 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
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-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
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 US disclosed
US-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 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
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 US disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 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 (3 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 JAK3 4/4885IRAK4 37/4885JAK2 1/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK JAK3 4/4885IRAK4 37/4885JAK2 1/4885
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE JAK3, JAK1, UACA JAK3 1/4885IRAK4 128/4885JAK2 4/4885

“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.