SCHEMBL4409686

SCHEMBL4409686

N#Cc1ccc(Nc2cc(NCc3ccccc3)c(C(N)=O)cn2)cc1C#N

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.72
▸ IRAK4 Q9NWZ3 8/20 0.72
▸ JAK2 O60674 4/20 0.72
▸ JAK1 P23458 3/20 0.72
▸ TYK2 P29597 3/20 0.72
▸ CSF1R P07333 1/20 0.56
▸ BTK Q06187 1/20 0.56
▸ AURKA O14965 2/20 0.44
▸ AURKB Q96GD4 2/20 0.44
▸ RPS6KB1 P23443 2/20 0.44
▸ PRKCQ Q04759 1/20 0.44
▸ AKT1 P31749 1/20 0.43
▸ STAT6 P42226 1/20 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
SCHEMBL2479081 0.88 JAK3 (0.79) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL4404210 0.86 JAK3 (0.76) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2479678 0.85 JAK3 (1.00) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL4403378 0.84 JAK3 (0.78) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL4409684 0.84 JAK3 (0.76) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL4404208 0.83 JAK3 (0.74) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2478357 0.83 JAK3 (0.86) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL12321884 0.83 JAK3 (1.00) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2485746 0.83 JAK3 (0.86) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695782 0.82 JAK3 (0.74) 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 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 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.

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