SCHEMBL912930

SCHEMBL912930

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(N(C)c3ccncc3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.51
EGFR P00533 4/20 0.47
ABL1 P00519 3/20 0.46
ITK Q08881 2/20 0.45
JAK3 P52333 1/20 0.44
BTK Q06187 1/20 0.44
JAK2 O60674 3/20 0.44
KIT P10721 1/20 0.43
FLT3 P36888 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
SYK P43405 2/20 0.43
PTK2 Q05397 1/20 0.42
BRAF P15056 1/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL914302 0.92 MAP3K5 (0.51) MAP3K5EGFRABL1ITKJAK3
SCHEMBL913999 0.85 MAP3K5 (0.53) MAP3K5EGFRABL1ITKJAK3
SCHEMBL912911 0.85 ALK (0.48) MAP3K5EGFRABL1ITKJAK3
SCHEMBL913697 0.83 BRAF (0.46) MAP3K5EGFRABL1ITKJAK3
SCHEMBL913606 0.82 MAP3K5 (0.53) MAP3K5EGFRABL1ITKBTK
SCHEMBL913759 0.81 MAP3K5 (0.52) MAP3K5EGFRABL1ITKJAK3
SCHEMBL915078 0.80 SYK (0.54) MAP3K5EGFRABL1ITKJAK3
SCHEMBL913817 0.80 JAK3 (0.55) MAP3K5EGFRABL1ITKJAK3
SCHEMBL913868 0.80 MAP3K5 (0.53) MAP3K5EGFRABL1ITKJAK3
SCHEMBL3714738 0.80 EGFR (0.53) MAP3K5EGFRABL1ITKJAK3

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 5 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-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-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 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.