SCHEMBL912969

SCHEMBL912969

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NC(CO)c3ccccc3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.64
MAP4K1 Q92918 9/20 0.64
MAP4K3 Q8IVH8 7/20 0.64
EGFR P00533 2/20 0.56
JAK3 P52333 1/20 0.53
SYK P43405 6/20 0.52
MAP3K5 Q99683 1/20 0.51
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
ITK Q08881 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
SCHEMBL912968 1.00 IRAK4 (0.64) IRAK4MAP4K1MAP4K3EGFRJAK3
SCHEMBL913712 1.00 IRAK4 (0.64) IRAK4MAP4K1MAP4K3EGFRJAK3
SCHEMBL914191 0.88 SYK (0.61) IRAK4MAP4K1MAP4K3EGFRSYK
SCHEMBL914008 0.88 SYK (0.61) IRAK4MAP4K1MAP4K3EGFRSYK
SCHEMBL914009 0.88 SYK (0.61) IRAK4MAP4K1MAP4K3EGFRSYK
SCHEMBL13074835 0.88 EGFR (0.59) IRAK4MAP4K1MAP4K3EGFRSYK
SCHEMBL912884 0.85 SYK (0.55) IRAK4MAP4K1MAP4K3EGFRJAK3
SCHEMBL913897 0.85 SYK (0.55) IRAK4MAP4K1MAP4K3EGFRJAK3
SCHEMBL913523 0.84 EGFR (0.59) EGFRSYKMAP3K5MAPK8MAPK9
SCHEMBL913569 0.84 EGFR (0.55) IRAK4MAP4K1MAP4K3EGFRSYK

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 8 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
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

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 IRAK4 48/4885MAP4K1 76/4885MAP4K3 60/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 IRAK4 48/4885MAP4K1 76/4885MAP4K3 60/4885

“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.