SCHEMBL2693641

SCHEMBL2693641

CCC(=O)N1CCC(c2ccc(Nc3cc(NCc4ccccn4)c(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.71
IRAK4 Q9NWZ3 5/20 0.48
JAK2 O60674 3/20 0.48
JAK1 P23458 2/20 0.48
TYK2 P29597 2/20 0.48
STAT6 P42226 1/20 0.46
SYK P43405 2/20 0.42
BTK Q06187 4/20 0.42
LCK P06239 3/20 0.42
EGFR P00533 2/20 0.42
CSF1R P07333 1/20 0.41
MAP4K1 Q92918 1/20 0.40

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
SCHEMBL2697778 0.91 JAK3 (0.74) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695477 0.89 JAK3 (0.79) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695029 0.86 JAK3 (0.80) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL4402545 0.86 JAK3 (0.68) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2693542 0.85 JAK3 (0.71) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695553 0.85 JAK3 (0.71) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2715007 0.85 JAK3 (0.71) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2693758 0.85 JAK3 (0.68) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2696313 0.85 JAK3 (0.53) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2696031 0.85 JAK3 (0.68) 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
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 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
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

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 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

“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.