SCHEMBL2494409

SCHEMBL2494409

Nc1nc(Nc2cccc3[nH]ccc23)ncc1-c1n[nH]c2ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK2 Q9NYY3 1/20 0.44
PIK3CA P42336 8/20 0.40
MTOR P42345 3/20 0.40
ITK Q08881 1/20 0.40
PIK3CB P42338 4/20 0.39
PIK3CG P48736 4/20 0.39
PIK3CD O00329 3/20 0.39
EPHB4 P54760 1/20 0.36
EGFR P00533 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
MAP3K14 Q99558 1/20 0.35
HTR1A P08908 1/20 0.35
SLC6A4 P31645 1/20 0.35
WNT1 P04628 1/20 0.35
FADS1 O60427 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL2496483 0.82 SYK (0.51) PLK2EGFRKDRMAPKAPK2SYK
SCHEMBL2463694 0.80 NTRK1 (0.41) JAK2
SCHEMBL14633756 0.79 NTRK1 (0.40) PLK2ITKJAK2
SCHEMBL2471660 0.75 PTK6 (0.50)
SCHEMBL14634034 0.75 EPHB4 (0.49) EPHB4PDGFRBKDRJAK3SYK
SCHEMBL14633541 0.75 ITK (0.36) ITKMAP3K14WNT1
SCHEMBL2462609 0.75 RIPK2 (0.48) ITKKDR
SCHEMBL2470080 0.74 ITK (0.47) ITKKDRJAK3MAP3K14WNT1
SCHEMBL14633958 0.74 MAP2K4 (0.43) ITKEPHB4JAK3FADS1SYK
SCHEMBL14633733 0.74 PTGS2 (0.49) ITKJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 PLK2 120/4885PIK3CA 78/4885MTOR 172/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 PLK2 49/4885PIK3CA 99/4885MTOR 219/4885

“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.