SCHEMBL943537

SCHEMBL943537

CC(=O)Nc1cc(Nc2ncc(C(N)=O)c(Nc3cccc4nsnc34)n2)ccc1OCCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.52
PDGFRB P09619 1/20 0.44
SRC P12931 1/20 0.44
MAP3K7 O43318 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
STAT6 P42226 1/20 0.43
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
JAK1 P23458 3/20 0.42
CSF1R P07333 2/20 0.42
BRD4 O60885 1/20 0.42
HDAC1 Q13547 1/20 0.42
JAK3 P52333 3/20 0.41
TYK2 P29597 1/20 0.41
JAK2 O60674 2/20 0.41

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
SCHEMBL12904895 0.96 SYK (0.51) SYKPDGFRBSRCMAP3K7IRAK4
SCHEMBL942933 0.87 SYK (0.55) SYKSTAT6MAPK8MAPK9JAK1
SCHEMBL947132 0.87 SYK (0.52) SYKSTAT6MAPK8MAPK9JAK1
SCHEMBL913890 0.86 SYK (0.55) SYKPDGFRBSRCSTAT6MAPK8
SCHEMBL12904868 0.85 STAT6 (0.43) SYKPDGFRBSRCMAP3K7IRAK4
SCHEMBL913562 0.84 SYK (0.54) SYKSTAT6MAPK8MAPK9JAK1
SCHEMBL12904877 0.82 SYK (0.53) SYKSTAT6MAPK8MAPK9JAK1
SCHEMBL914015 0.81 STAT6 (0.59) SYKSTAT6MAPK8MAPK9JAK1
SCHEMBL945996 0.81 SYK (0.59) SYKMAPK8MAPK9JAK1JAK3
SCHEMBL12904904 0.80 SYK (0.53) SYKSTAT6MAPK8MAPK9JAK1

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 13 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
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 72/4885PDGFRB 453/4885SRC 101/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885PDGFRB 453/4885SRC 101/4885

“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.