SCHEMBL2431672

SCHEMBL2431672

CNc1n[nH]c2ccc(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 2/20 0.55
GSK3B P49841 3/20 0.48
GSK3A P49840 2/20 0.48
MAP2K4 P45985 3/20 0.46
RIPK2 O43353 3/20 0.46
NTRK1 P04629 3/20 0.46
GAK O14976 1/20 0.44
LCK P06239 1/20 0.44
TGFBR1 P36897 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPK14 Q16539 1/20 0.44
RIPK3 Q9Y572 1/20 0.44
ITK Q08881 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR2A P28223 1/20 0.42
JAK2 O60674 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL31032803 0.86 MAP2K4 (0.62) FADS1GSK3BMAP2K4ITKMAPK1
SCHEMBL26395290 0.83 NMT1 (0.50) FADS1GSK3BGSK3AMAP2K4NTRK1
SCHEMBL11696884 0.82 FADS1 (0.55) FADS1GSK3BGSK3AMAP2K4RIPK2
SCHEMBL7214763 0.80 FADS1 (0.56) FADS1GSK3BMAP2K4ITKMAPK1
SCHEMBL7214758 0.79 GSK3B (0.44) FADS1GSK3BGSK3ANTRK1MAPK1
SCHEMBL5773496 0.79 FADS1 (0.60) FADS1GSK3BMAPK1
SCHEMBL2671952 0.79 PDPK1 (0.58) FADS1GSK3BHTR2AJAK2
SCHEMBL26400882 0.79 MAP2K7 (0.50) FADS1GSK3BGSK3AMAP2K4NTRK1
SCHEMBL4007120 0.79 GSK3B (0.69) FADS1GSK3BNTRK1HTR2AJAK2
SCHEMBL628596 0.78 FADS1 (0.58) FADS1GSK3BMAP2K4KCNH2MAPK1

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
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
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
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 (1 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 FADS1 3869/4885GSK3B 896/4885GSK3A 644/4885

“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.