SCHEMBL913552

SCHEMBL913552

COc1ccc(Nc2ncc(C(N)=O)c(NCc3ccccc3)n2)cc1NC(=O)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 12/20 0.62
SYK P43405 1/20 0.58
MAPK8 P45983 1/20 0.56
MAPK9 P45984 1/20 0.56
JAK3 P52333 5/20 0.53
JAK1 P23458 4/20 0.53
JAK2 O60674 3/20 0.53
NUAK1 O60285 1/20 0.49
STK16 O75716 1/20 0.49
NTRK1 P04629 1/20 0.49
CSNK2A2 P19784 1/20 0.49
TYK2 P29597 1/20 0.49
BMPR2 Q13873 1/20 0.49
AAK1 Q2M2I8 1/20 0.49
NUAK2 Q9H093 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
BMP2K Q9NSY1 1/20 0.49
TBK1 Q9UHD2 1/20 0.49

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
SCHEMBL913780 0.88 STAT6 (0.65) STAT6SYKJAK3JAK1JAK2
SCHEMBL913596 0.87 STAT6 (0.65) STAT6SYKJAK3JAK1JAK2
SCHEMBL913754 0.87 STAT6 (0.69) STAT6SYKNUAK1STK16NTRK1
SCHEMBL912999 0.86 STAT6 (0.62) STAT6SYKJAK3JAK1JAK2
SCHEMBL913713 0.86 STAT6 (0.62) STAT6SYK
SCHEMBL914789 0.86 MAPK8 (0.60) STAT6SYKMAPK8MAPK9JAK3
SCHEMBL913548 0.85 STAT6 (0.67) STAT6SYKNUAK1STK16NTRK1
SCHEMBL913628 0.85 STAT6 (0.60) STAT6SYKMAPK8MAPK9JAK3
SCHEMBL914035 0.84 STAT6 (0.68) STAT6SYKNUAK1STK16NTRK1
SCHEMBL913657 0.83 STAT6 (0.65) STAT6SYKNUAK1STK16NTRK1

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
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-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

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 STAT6 16/4885SYK 72/4885MAPK8 196/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 STAT6 16/4885SYK 72/4885MAPK8 196/4885

“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.