SCHEMBL2438017

SCHEMBL2438017

Fc1ccc2[nH]nc(Nc3ccnc(Cl)n3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 4/20 0.55
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
RIPK2 O43353 3/20 0.47
TGFBR1 P36897 2/20 0.45
GAK O14976 1/20 0.45
LCK P06239 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPK14 Q16539 1/20 0.45
RIPK3 Q9Y572 1/20 0.45
GRM4 Q14833 6/20 0.42
ITK Q08881 1/20 0.40
EGFR P00533 1/20 0.38

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
SCHEMBL12325161 0.86 TRPA1 (0.46) FADS1TGFBR1GRM4
SCHEMBL12325165 0.82 TGFBR1 (0.40) FADS1GSK3AGSK3BTGFBR1GRM4
SCHEMBL12325176 0.81 TRPA1 (0.55) FADS1TGFBR1GRM4
SCHEMBL14634187 0.78 GSK3A (0.48) FADS1GSK3AGSK3BRIPK2TGFBR1
SCHEMBL12325164 0.77 FADS1 (0.43) FADS1GRM4ITK
SCHEMBL14633578 0.76 GSK3A (0.44) FADS1GSK3AGSK3BRIPK2TGFBR1
SCHEMBL14634300 0.75 TGFBR1 (0.36) GSK3AGSK3BTGFBR1GRM4ITK
SCHEMBL2435894 0.75 KDR (0.46) FADS1RIPK2TGFBR1GAKLCK
SCHEMBL12325172 0.74 TGFBR1 (0.38) FADS1TGFBR1GRM4EGFR
SCHEMBL12325163 0.74 TGFBR1 (0.42) FADS1TGFBR1GRM4EGFR

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 3869/4885GSK3A 644/4885GSK3B 896/4885

“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.