SCHEMBL913294

SCHEMBL913294

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NCCC(C)C)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.60
JAK3 P52333 4/20 0.60
JAK2 O60674 3/20 0.60
TYK2 P29597 2/20 0.60
EGFR P00533 3/20 0.54
SYK P43405 11/20 0.54
ZAP70 P43403 1/20 0.52
KCNH2 Q12809 1/20 0.52
AURKB Q96GD4 1/20 0.52
ITK Q08881 1/20 0.52
MAP3K5 Q99683 1/20 0.51
MAPK8 P45983 1/20 0.50

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
SCHEMBL913691 0.90 JAK2 (0.59) JAK1JAK3JAK2EGFRSYK
SCHEMBL913505 0.88 SYK (0.58) JAK1JAK3JAK2TYK2EGFR
SCHEMBL913493 0.87 EGFR (0.55) JAK1JAK3JAK2EGFRSYK
SCHEMBL913492 0.87 EGFR (0.55) JAK1JAK3JAK2EGFRSYK
SCHEMBL912928 0.87 EGFR (0.59) JAK3JAK2EGFRSYKZAP70
SCHEMBL913509 0.86 JAK3 (0.60) JAK3JAK2EGFRSYKZAP70
SCHEMBL913963 0.86 EGFR (0.58) JAK3JAK2TYK2EGFRSYK
SCHEMBL913794 0.85 SYK (0.55) JAK1JAK3JAK2EGFRSYK
SCHEMBL913757 0.85 JAK3 (0.64) JAK1JAK3JAK2EGFRSYK
SCHEMBL913523 0.85 EGFR (0.59) EGFRSYKITKMAP3K5MAPK8

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 17 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
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 JAK1 1/4885JAK3 3/4885JAK2 2/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 JAK1 1/4885JAK3 3/4885JAK2 2/4885

“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.