SCHEMBL2694155

SCHEMBL2694155

CCC(=O)N(C)c1ccc(Nc2cc(N(C)c3cccc4cc[nH]c34)c(C(N)=O)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 13/20 0.47
▸ JAK3 P52333 4/20 0.38
▸ PDPK1 O15530 1/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ TYK2 P29597 2/20 0.36
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35

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
SCHEMBL2695618 0.91 SYK (0.44) SYKJAK3PDPK1IRAK4JAK2
SCHEMBL2696533 0.89 SYK (0.46) SYKJAK3PDPK1IRAK4JAK2
SCHEMBL2695094 0.88 SYK (0.50) SYKJAK3PDPK1
SCHEMBL2693148 0.86 SYK (0.45) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2693187 0.85 SIRT2 (0.42) SYKJAK3PDPK1IRAK4JAK2
SCHEMBL2694157 0.84 JAK3 (0.47) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2695417 0.84 MAPK9 (0.51) SYKJAK3PDPK1IRAK4JAK2
SCHEMBL2693950 0.84 PDPK1 (0.42) SYKJAK3PDPK1IRAK4JAK2
SCHEMBL2697486 0.80 MAPK9 (0.42) SYKJAK3PDPK1IRAK4JAK2
SCHEMBL2695391 0.80 SYK (0.49) SYKJAK3IRAK4JAK2JAK1

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 8 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
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
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
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 SYK 17/4885JAK3 4/4885PDPK1 118/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK SYK 17/4885JAK3 4/4885PDPK1 118/4885

“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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