SCHEMBL2695391

SCHEMBL2695391

CCC(=O)N(C)c1ccc(Nc2cc(N(C)c3cccc(F)n3)c(C(N)=O)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 13/20 0.49
▸ JAK3 P52333 4/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ PARP1 P09874 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36

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
SCHEMBL2696558 0.90 SYK (0.46) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2696685 0.88 SYK (0.48) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2695760 0.88 SYK (0.52) SYKJAK3JAK2JAK1TYK2
SCHEMBL2694009 0.84 SIRT2 (0.44) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2692782 0.83 CSF1R (0.44) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2695292 0.83 MAPK9 (0.53) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2695394 0.82 JAK3 (0.50) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2693435 0.82 SYK (0.49) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2694937 0.81 JAK3 (0.47) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2694155 0.80 SYK (0.47) 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 10 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
EP-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 — — EP claimed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO 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 4/4885IRAK4 37/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK SYK 17/4885JAK3 4/4885IRAK4 37/4885

“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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