SCHEMBL912911

SCHEMBL912911

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(N(C)c3cnn(C)c3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.48
CDK19 Q9BWU1 1/20 0.48
MAP3K5 Q99683 1/20 0.48
JAK3 P52333 11/20 0.45
JAK1 P23458 8/20 0.45
JAK2 O60674 5/20 0.45
TYK2 P29597 5/20 0.45
CDK2 P24941 3/20 0.44
SYK P43405 3/20 0.44
CDC7 O00311 2/20 0.44
DAPK3 O43293 2/20 0.44
ROCK2 O75116 2/20 0.44
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
PAK4 O96013 2/20 0.44
PIM1 P11309 2/20 0.44
PRKACA P17612 2/20 0.44
CSNK1A1 P48729 2/20 0.44
CLK2 P49760 2/20 0.44
GSK3A P49840 2/20 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
SCHEMBL912930 0.85 MAP3K5 (0.51) MAP3K5JAK3JAK2SYKEGFR
SCHEMBL914302 0.85 MAP3K5 (0.51) MAP3K5JAK3JAK2PRKD3EGFR
SCHEMBL913697 0.81 BRAF (0.46) MAP3K5JAK3SYKEGFRABL1
SCHEMBL913999 0.80 MAP3K5 (0.53) MAP3K5JAK3JAK2SYKEGFR
SCHEMBL913759 0.80 MAP3K5 (0.52) MAP3K5JAK3SYKEGFRABL1
SCHEMBL915078 0.79 SYK (0.54) MAP3K5JAK3SYKEGFRABL1
SCHEMBL913606 0.79 MAP3K5 (0.53) MAP3K5SYKEGFRABL1PDGFRB
SCHEMBL913817 0.79 JAK3 (0.55) MAP3K5JAK3SYKEGFRABL1
SCHEMBL913160 0.78 JAK1 (0.45) JAK3JAK1JAK2TYK2SYK
SCHEMBL3803665 0.78 ULK1 (0.50) ALKJAK3TYK2CDK2STK17A

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 6 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

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 ALK 762/4885CDK19 259/4885MAP3K5 21/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 ALK 762/4885CDK19 259/4885MAP3K5 21/4885

“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.