SCHEMBL913697

SCHEMBL913697

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(N(C)c3ccc4c(c3)OCO4)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.46
MAP3K5 Q99683 1/20 0.46
KMT2A Q03164 1/20 0.44
ABL1 P00519 2/20 0.44
EGFR P00533 5/20 0.44
BTK Q06187 2/20 0.44
SYK P43405 5/20 0.43
JAK3 P52333 1/20 0.42
ITK Q08881 1/20 0.41
FYN P06241 2/20 0.41
MAP4K1 Q92918 1/20 0.40

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
SCHEMBL913561 0.84 BRAF (0.49) BRAFKMT2ASYKFYN
SCHEMBL912930 0.83 MAP3K5 (0.51) BRAFMAP3K5ABL1EGFRBTK
SCHEMBL914302 0.83 MAP3K5 (0.51) MAP3K5ABL1EGFRBTKJAK3
SCHEMBL912911 0.81 ALK (0.48) MAP3K5ABL1EGFRSYKJAK3
SCHEMBL913699 0.79 BRAF (0.55) BRAFSYKJAK3
SCHEMBL913999 0.78 MAP3K5 (0.53) MAP3K5ABL1EGFRBTKSYK
SCHEMBL913759 0.78 MAP3K5 (0.52) MAP3K5ABL1EGFRBTKSYK
SCHEMBL915078 0.77 SYK (0.54) MAP3K5ABL1EGFRSYKJAK3
SCHEMBL913606 0.77 MAP3K5 (0.53) MAP3K5ABL1EGFRBTKSYK
SCHEMBL913817 0.77 JAK3 (0.55) MAP3K5ABL1EGFRSYKJAK3

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 9 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
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 BRAF 301/4885MAP3K5 21/4885KMT2A 1528/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 BRAF 301/4885MAP3K5 21/4885KMT2A 1528/4885

“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.