SCHEMBL4406779

SCHEMBL4406779

NC(=O)c1cnc(Cl)cc1N[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.50
HSP90AA1 P07900 5/20 0.49
MAPK9 P45984 4/20 0.49
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 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
SCHEMBL2181816 1.00 MAPK8 (0.50) MAPK8HSP90AA1MAPK9CA1CA2
SCHEMBL2695912 1.00 MAPK8 (0.50) MAPK8HSP90AA1MAPK9CA1CA2
SCHEMBL4406633 0.94 CA1 (0.47) MAPK8HSP90AA1MAPK9CA1CA2
SCHEMBL2479539 0.88 CA1 (0.56) MAPK8CA1CA2CA3CA6
SCHEMBL21949100 0.86 MAPK8 (0.57) MAPK8MAPK9CA1CA2CA3
SCHEMBL2182279 0.85 KCNH2 (0.48) CA1CA2CA3CA6CA7
SCHEMBL30266524 0.85 MELK (0.41) MAPK8HSP90AA1MAPK9
SCHEMBL31436651 0.81 CA1 (0.45) CA1CA2CA3CA6CA7
SCHEMBL4404049 0.81 CA1 (0.45) CA1CA2CA3CA6CA7
SCHEMBL4403235 0.80 JAK3 (0.53)

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
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
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

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 MAPK8 398/4885HSP90AA1 2127/4885MAPK9 124/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK MAPK8 398/4885HSP90AA1 2127/4885MAPK9 124/4885

“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.