SCHEMBL2695768

SCHEMBL2695768

NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1NC1(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 7/20 0.58
▸ MAPK9 P45984 5/20 0.58
▸ STAT6 P42226 10/20 0.51
▸ MAPK8 P45983 1/20 0.49
▸ JAK3 P52333 2/20 0.48
▸ IRAK4 Q9NWZ3 2/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ SYK P43405 1/20 0.47

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
SCHEMBL2695976 0.92 MAPK10 (0.51) MAPK10MAPK9STAT6JAK3IRAK4
SCHEMBL4404194 0.92 STAT6 (0.50) MAPK10MAPK9STAT6JAK3IRAK4
SCHEMBL2695465 0.90 SYK (0.51) MAPK10MAPK9STAT6JAK3IRAK4
SCHEMBL2695144 0.88 SYK (0.54) SYK
SCHEMBL2697540 0.88 JAK3 (0.49) MAPK10MAPK9STAT6JAK3IRAK4
SCHEMBL2696759 0.87 SYK (0.51) MAPK10MAPK9MAPK8JAK3IRAK4
SCHEMBL2695387 0.86 SYK (0.52) MAPK10MAPK9STAT6JAK3IRAK4
SCHEMBL2697795 0.85 MAPK10 (0.67) MAPK10MAPK9STAT6MAPK8SYK
SCHEMBL2695375 0.85 EGFR (0.49) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2474883 0.83 JAK3 (0.72) MAPK10MAPK9STAT6JAK3IRAK4

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 16 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
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 MAPK10 260/4885MAPK9 124/4885STAT6 79/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK MAPK10 260/4885MAPK9 124/4885STAT6 79/4885

“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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