SCHEMBL4096565

SCHEMBL4096565

O=c1cc(-c2c[nH]nc2-c2ccc(F)cc2)cc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.47
MAPK13 O15264 2/20 0.47
MAPK12 P53778 2/20 0.47
MAPK11 Q15759 2/20 0.47
NOTUM Q6P988 1/20 0.42
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
PDGFRB P09619 1/20 0.37
MAP4K4 O95819 1/20 0.36
LRRK2 Q5S007 1/20 0.36
NPY5R Q15761 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
MAPT P10636 2/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
GCGR P47871 1/20 0.35
ERCC1 P07992 1/20 0.35

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
SCHEMBL24962565 0.81 NOTUM (0.47) MAPK14NOTUMPDE3BPDE3AMAP4K4
SCHEMBL5253600 0.77 NOTUM (0.46) NOTUMPDE3BPDE3APDGFRBMAP4K4
SCHEMBL5260743 0.76 PDGFRB (0.41) MAPK14MAPK13MAPK12MAPK11PDGFRB
SCHEMBL4231200 0.76 NOTUM (0.64) MAPK14MAPK13MAPK12MAPK11NOTUM
SCHEMBL28329372 0.75 ADORA1 (0.49) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4101681 0.74 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5445557 0.72 TGFBR1 (0.46) MAPK14MAPK13MAPK12MAPK11PDE3B
SCHEMBL3859370 0.72 ACVR1 (0.44) MAPK14PDE3BPDE3A
SCHEMBL1554633 0.72 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL6077530 0.72 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11MAP4K4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 MAPK14 136/4885MAPK13 99/4885MAPK12 111/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 MAPK14 136/4885MAPK13 99/4885MAPK12 111/4885

“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.