SCHEMBL913868

SCHEMBL913868

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(N(C)Cc3ccccc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.53
EGFR P00533 6/20 0.51
ABL1 P00519 2/20 0.46
SCN9A Q15858 1/20 0.45
RPS6KB1 P23443 1/20 0.45
ITK Q08881 2/20 0.45
JAK3 P52333 2/20 0.45
KIT P10721 1/20 0.45
FLT3 P36888 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
PTK2 Q05397 1/20 0.44
BTK Q06187 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
JAK2 O60674 1/20 0.43
SYK P43405 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43

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
SCHEMBL913568 0.87 MAP3K5 (0.49) MAP3K5EGFRABL1SCN9AITK
SCHEMBL3717193 0.83 MAP3K5 (0.49) MAP3K5EGFRABL1SCN9AITK
SCHEMBL3714738 0.83 EGFR (0.53) MAP3K5EGFRABL1ITKJAK3
SCHEMBL913606 0.81 MAP3K5 (0.53) MAP3K5EGFRABL1ITKKIT
SCHEMBL913999 0.81 MAP3K5 (0.53) MAP3K5EGFRABL1ITKJAK3
SCHEMBL913759 0.80 MAP3K5 (0.52) MAP3K5EGFRABL1SCN9AITK
SCHEMBL913623 0.80 STAT6 (0.64) MAP3K5EGFRRPS6KB1JAK3JAK2
SCHEMBL914302 0.80 MAP3K5 (0.51) MAP3K5EGFRABL1ITKJAK3
SCHEMBL912930 0.80 MAP3K5 (0.51) MAP3K5EGFRABL1ITKJAK3
SCHEMBL915078 0.80 SYK (0.54) MAP3K5EGFRABL1SCN9AITK

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 19 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 claimed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US claimed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 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 MAP3K5 21/4885EGFR 772/4885ABL1 12/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 MAP3K5 21/4885EGFR 772/4885ABL1 12/4885

“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.