SCHEMBL12904875

SCHEMBL12904875

CC(=O)Nc1cc(Nc2ncc(C(N)=O)c(NCc3cccc(F)c3)n2)ccc1OCCCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 11/20 0.56
JAK2 O60674 4/20 0.54
JAK3 P52333 4/20 0.54
JAK1 P23458 3/20 0.54
NTRK1 P04629 4/20 0.48
SYK P43405 1/20 0.46

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
SCHEMBL913215 0.96 STAT6 (0.58) STAT6JAK2JAK3JAK1NTRK1
SCHEMBL12904899 0.92 STAT6 (0.59) STAT6JAK2JAK3JAK1SYK
SCHEMBL914015 0.88 STAT6 (0.59) STAT6JAK2JAK3JAK1SYK
SCHEMBL914711 0.87 STAT6 (0.56) STAT6JAK2JAK3JAK1NTRK1
SCHEMBL954659 0.86 JAK3 (0.56) STAT6JAK2JAK3JAK1NTRK1
SCHEMBL12904904 0.81 SYK (0.53) STAT6JAK2JAK3JAK1SYK
SCHEMBL12904877 0.81 SYK (0.53) STAT6JAK2JAK3JAK1SYK
SCHEMBL12904895 0.81 SYK (0.51) STAT6JAK2JAK3JAK1SYK
SCHEMBL914816 0.80 STAT6 (0.56) STAT6JAK2JAK3JAK1SYK
SCHEMBL913782 0.79 STAT6 (0.58) STAT6JAK2JAK3JAK1SYK

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 9 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 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-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
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 16/4885JAK2 2/4885JAK3 3/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 STAT6 16/4885JAK2 2/4885JAK3 3/4885

“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.