SCHEMBL913730

SCHEMBL913730

NC(=O)c1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.59
PDK1 Q15118 3/20 0.59
ULK2 Q8IYT8 3/20 0.59
JAK2 O60674 4/20 0.57
JAK3 P52333 4/20 0.57
JAK1 P23458 3/20 0.57
TBK1 Q9UHD2 7/20 0.56
NTRK1 P04629 2/20 0.56
BMPR2 Q13873 2/20 0.56
MARK3 P27448 3/20 0.55
MARK4 Q96L34 3/20 0.55
STK17A Q9UEE5 2/20 0.55
SYK P43405 5/20 0.55
NUAK1 O60285 2/20 0.55
STK16 O75716 1/20 0.55
CSNK2A2 P19784 1/20 0.55
TYK2 P29597 1/20 0.55
AAK1 Q2M2I8 1/20 0.55
NUAK2 Q9H093 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55

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
SCHEMBL912996 0.97 ULK1 (0.59) ULK1PDK1ULK2JAK2JAK3
SCHEMBL914664 0.88 ULK1 (0.61) ULK1PDK1ULK2TBK1NTRK1
SCHEMBL913463 0.87 SYK (0.66) SYK
SCHEMBL913819 0.87 JAK3 (0.61) JAK2JAK3JAK1SYKTYK2
SCHEMBL913548 0.86 STAT6 (0.67) ULK1PDK1ULK2TBK1NTRK1
SCHEMBL913883 0.86 SYK (0.59) ULK1PDK1ULK2TBK1NTRK1
SCHEMBL915079 0.85 JAK2 (0.61) JAK2JAK3JAK1SYKTYK2
SCHEMBL913729 0.85 ULK1 (0.59) ULK1PDK1ULK2TBK1NTRK1
SCHEMBL914035 0.85 STAT6 (0.68) ULK1PDK1ULK2TBK1NTRK1
SCHEMBL914293 0.85 ULK1 (0.67) ULK1PDK1ULK2JAK2JAK3

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-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 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 ULK1 449/4885PDK1 524/4885ULK2 221/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 ULK1 449/4885PDK1 524/4885ULK2 221/4885

“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.