SCHEMBL4403274

SCHEMBL4403274

CC(=O)N1CCN(c2ccc(Nc3cc(NC(CO)c4ccccc4)c(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.70
JAK3 P52333 2/20 0.70
SYK P43405 17/20 0.58
MAP4K1 Q92918 1/20 0.49

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
SCHEMBL2695621 0.90 IRAK4 (0.75) IRAK4JAK3SYKMAP4K1
SCHEMBL2695619 0.90 IRAK4 (0.75) IRAK4JAK3SYKMAP4K1
SCHEMBL2693079 0.89 SYK (0.70) IRAK4JAK3SYK
SCHEMBL2693082 0.89 SYK (0.70) IRAK4JAK3SYK
SCHEMBL2693952 0.85 SYK (0.67) SYK
SCHEMBL2476592 0.84 SYK (0.71) IRAK4JAK3SYK
SCHEMBL2694890 0.81 IRAK4 (0.73) IRAK4JAK3SYKMAP4K1
SCHEMBL2694888 0.81 IRAK4 (0.73) IRAK4JAK3SYKMAP4K1
SCHEMBL4409435 0.81 SYK (0.61) IRAK4JAK3SYK
SCHEMBL2694981 0.81 JAK3 (0.59) IRAK4JAK3SYK

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 6 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 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-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 IRAK4 37/4885JAK3 4/4885SYK 17/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK IRAK4 37/4885JAK3 4/4885SYK 17/4885

“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.