SCHEMBL913558

SCHEMBL913558

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NCC(=O)N3CCCC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.51
EGFR P00533 2/20 0.51
ULK1 O75385 1/20 0.51
PDK1 Q15118 1/20 0.51
ULK2 Q8IYT8 1/20 0.51
STAT6 P42226 3/20 0.49
MAPK8 P45983 1/20 0.49
ITK Q08881 1/20 0.49
PDPK1 O15530 1/20 0.48
CDK2 P24941 1/20 0.48
MAP3K5 Q99683 1/20 0.48
NUAK1 O60285 1/20 0.47
STK16 O75716 1/20 0.47
NTRK1 P04629 1/20 0.47
CSNK2A2 P19784 1/20 0.47
TYK2 P29597 1/20 0.47
BMPR2 Q13873 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
NUAK2 Q9H093 1/20 0.47
MKNK2 Q9HBH9 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
SCHEMBL3792397 0.87 MAPK8 (0.49) SYKSTAT6MAPK8
SCHEMBL913963 0.86 EGFR (0.58) SYKEGFRMAPK8ITKMAP3K5
SCHEMBL914208 0.85 SYK (0.51) SYKEGFRULK1PDK1ULK2
SCHEMBL912910 0.84 EGFR (0.55) SYKEGFRMAPK8ITKMAP3K5
SCHEMBL912928 0.83 EGFR (0.59) SYKEGFRMAPK8ITKMAP3K5
SCHEMBL914664 0.83 ULK1 (0.61) SYKEGFRULK1PDK1ULK2
SCHEMBL913990 0.83 SYK (0.66) SYK
SCHEMBL913485 0.83 SYK (0.69) SYKEGFRTYK2
SCHEMBL913819 0.82 JAK3 (0.61) SYKEGFRTYK2
SCHEMBL915079 0.82 JAK2 (0.61) SYKEGFRITKTYK2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US claimed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US claimed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US claimed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US claimed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO 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-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885EGFR 772/4885ULK1 449/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885EGFR 772/4885ULK1 449/4885

“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.