SCHEMBL914293

SCHEMBL914293

CCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.67
PDK1 Q15118 3/20 0.67
ULK2 Q8IYT8 3/20 0.67
PDPK1 O15530 3/20 0.63
CDK2 P24941 1/20 0.63
SYK P43405 6/20 0.60
TBK1 Q9UHD2 7/20 0.59
MARK3 P27448 3/20 0.59
MARK4 Q96L34 3/20 0.59
STK17A Q9UEE5 3/20 0.59
NUAK1 O60285 2/20 0.56
IKBKE Q14164 1/20 0.56
CGAS Q8N884 1/20 0.56
AURKA O14965 1/20 0.55
NTRK1 P04629 2/20 0.54
BMPR2 Q13873 2/20 0.54
TYK2 P29597 2/20 0.54
AAK1 Q2M2I8 2/20 0.54
MKNK2 Q9HBH9 2/20 0.54
STK16 O75716 1/20 0.54

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
SCHEMBL914664 0.91 ULK1 (0.61) ULK1PDK1ULK2PDPK1CDK2
SCHEMBL3722244 0.87 ULK1 (0.61) ULK1PDK1ULK2PDPK1CDK2
SCHEMBL913729 0.86 ULK1 (0.59) ULK1PDK1ULK2PDPK1CDK2
SCHEMBL912996 0.86 ULK1 (0.59) ULK1PDK1ULK2PDPK1CDK2
SCHEMBL913730 0.85 ULK1 (0.59) ULK1PDK1ULK2PDPK1CDK2
SCHEMBL913548 0.85 STAT6 (0.67) ULK1PDK1ULK2SYKTBK1
SCHEMBL913883 0.85 SYK (0.59) ULK1PDK1ULK2PDPK1CDK2
SCHEMBL914035 0.84 STAT6 (0.68) ULK1PDK1ULK2SYKTBK1
SCHEMBL12904961 0.84 ULK1 (0.56) ULK1PDK1ULK2PDPK1CDK2
SCHEMBL913657 0.83 STAT6 (0.65) ULK1PDK1ULK2SYKTBK1

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-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
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO claimed
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-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
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.