SCHEMBL913619

SCHEMBL913619

CC(=O)N(C)c1cccc(Nc2ncc(C(N)=O)c(NCC3CC3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.59
JAK2 O60674 6/20 0.56
JAK3 P52333 6/20 0.56
JAK1 P23458 4/20 0.52
TYK2 P29597 1/20 0.49
KCNH2 Q12809 2/20 0.49
MAPK3 P27361 1/20 0.49
MAPK1 P28482 1/20 0.49
AURKB Q96GD4 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
SCHEMBL914768 0.89 SYK (0.53) SYKJAK2JAK3JAK1
SCHEMBL913560 0.88 SYK (0.56) SYKJAK2JAK3JAK1TYK2
SCHEMBL13074668 0.87 SYK (0.79) SYK
SCHEMBL912202 0.85 SYK (0.73) SYK
SCHEMBL913581 0.85 STAT6 (0.60) SYKJAK2JAK3JAK1
SCHEMBL913762 0.85 SYK (0.60) SYKJAK2JAK3JAK1TYK2
SCHEMBL3721804 0.84 JAK3 (0.60) SYKJAK2JAK3JAK1
SCHEMBL913070 0.83 SYK (0.56) SYK
SCHEMBL913819 0.81 JAK3 (0.61) SYKJAK2JAK3JAK1TYK2
SCHEMBL915079 0.81 JAK2 (0.61) SYKJAK2JAK3JAK1TYK2

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 12 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-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 SYK 72/4885JAK2 2/4885JAK3 3/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885JAK2 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.