SCHEMBL915078

SCHEMBL915078

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(N(C)C3CCC3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.54
JAK3 P52333 3/20 0.53
LCK P06239 2/20 0.53
MAP3K5 Q99683 1/20 0.51
EGFR P00533 2/20 0.47
ITK Q08881 1/20 0.45
ABL1 P00519 1/20 0.44
SCN9A Q15858 1/20 0.44

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
SCHEMBL913817 0.99 JAK3 (0.55) SYKJAK3LCKMAP3K5EGFR
SCHEMBL913759 0.97 MAP3K5 (0.52) SYKJAK3LCKMAP3K5EGFR
SCHEMBL913635 0.93 SYK (0.48) SYKJAK3LCKMAP3K5EGFR
SCHEMBL913951 0.91 KCNH2 (0.51) SYKJAK3LCKMAP3K5EGFR
SCHEMBL913484 0.90 SYK (0.47) SYKJAK3LCKMAP3K5EGFR
SCHEMBL913989 0.90 SYK (0.47) SYKJAK3LCKMAP3K5SCN9A
SCHEMBL913554 0.88 SYK (0.45) SYKJAK3LCKMAP3K5SCN9A
SCHEMBL913828 0.85 SYK (0.46) SYKJAK3LCKMAP3K5
SCHEMBL3715143 0.84 MAP3K5 (0.51) SYKJAK3MAP3K5EGFRITK
SCHEMBL913568 0.82 MAP3K5 (0.49) SYKJAK3MAP3K5EGFRITK

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 7 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
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 SYK 72/4885JAK3 3/4885LCK 62/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885JAK3 3/4885LCK 62/4885

“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.