SCHEMBL2695498

SCHEMBL2695498

CS(=O)(=O)Cc1ccc(Nc2cc(NCc3cccc(-c4ccncc4)c3)c(C(N)=O)cn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.64
▸ IRAK4 Q9NWZ3 6/20 0.56
▸ JAK2 O60674 2/20 0.56
▸ JAK1 P23458 2/20 0.56
▸ TYK2 P29597 2/20 0.56
▸ CSF1R P07333 5/20 0.51
▸ BTK Q06187 1/20 0.51
▸ CDC7 O00311 2/20 0.48
▸ ROCK2 O75116 2/20 0.48
▸ MAP4K4 O95819 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ CLK4 Q9HAZ1 2/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ KDM4C Q9H3R0 1/20 0.45
▸ KCNH2 Q12809 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SYK P43405 1/20 0.40
▸ BACE1 P56817 1/20 0.39

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
SCHEMBL2694344 0.94 JAK3 (0.58) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2694014 0.91 JAK3 (0.61) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2694557 0.90 JAK3 (0.65) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2693073 0.86 JAK3 (0.76) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL17021348 0.86 JAK3 (0.48) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2696171 0.84 JAK3 (0.64) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL4404548 0.83 JAK3 (0.56) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL19010357 0.82 JAK3 (0.44) JAK3CSF1RCDC7ROCK2MAP4K4
SCHEMBL2696840 0.81 JAK3 (0.64) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695379 0.79 JAK3 (0.79) 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 14 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
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.

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