SCHEMBL2695477

SCHEMBL2695477

CCC(=O)N1CCC(c2ccc(Nc3cc(NCc4ccccc4)c(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.79
IRAK4 Q9NWZ3 6/20 0.63
JAK2 O60674 2/20 0.63
JAK1 P23458 2/20 0.63
TYK2 P29597 2/20 0.63
STAT6 P42226 3/20 0.57
BTK Q06187 4/20 0.51
CSF1R P07333 1/20 0.51
SYK P43405 2/20 0.44
ENPP2 Q13822 1/20 0.44
EGFR P00533 2/20 0.43
LCK P06239 2/20 0.43

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
SCHEMBL2715007 0.93 JAK3 (0.71) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695029 0.92 JAK3 (0.80) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2481361 0.92 JAK3 (0.67) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2696277 0.91 JAK3 (0.67) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695168 0.91 JAK3 (0.78) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2481805 0.91 JAK3 (0.67) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2697667 0.90 JAK3 (0.72) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2697778 0.90 JAK3 (0.74) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2693641 0.89 JAK3 (0.71) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695405 0.89 JAK3 (0.71) 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 22 patents — showing the first 20. 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 claimed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US claimed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US claimed
EP-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 EP claimed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO claimed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US claimed
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
EP-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 EP disclosed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO 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
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.