SCHEMBL4494903

SCHEMBL4494903

Cc1ccc2nnc(Sc3c[nH]c4ncc(-c5cnn(C)c5)cc34)n2n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.46
MET P08581 3/20 0.44
ABL1 P00519 1/20 0.44
NQO2 P16083 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
PDE3B Q13370 1/20 0.44
DYRK1A Q13627 1/20 0.44
PDE3A Q14432 1/20 0.44
MAP3K19 Q56UN5 1/20 0.44
PIP4K2C Q8TBX8 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
PDPK1 O15530 2/20 0.42

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
SCHEMBL4516010 0.91 MET (0.54) ALKMETABL1NQO2MAPK8
SCHEMBL4256359 0.80 MET (0.51) METABL1NQO2MAPK8MAPK10
SCHEMBL12049614 0.80 MET (0.62) ALKMETPDPK1
SCHEMBL4256849 0.77 MET (0.49) METABL1NQO2MAPK8MAPK10
SCHEMBL4255632 0.76 MET (0.63) METABL1NQO2MAPK8MAPK10
SCHEMBL12101531 0.72 ALK (0.42) ALKPDPK1
SCHEMBL26175345 0.69 PDPK1 (0.56) ALKPDPK1
SCHEMBL4252065 0.68 MET (0.77) METABL1NQO2MAPK8MAPK10
SCHEMBL28512236 0.67 ALK (0.54) ALKPDPK1
SCHEMBL720228 0.67 ALK (0.57) ALKPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
EP-2084162-B1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
EP-2084162-B1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 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 (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-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS MAP3K20, TTK, PRKACB ALK 845/4885MET 1052/4885ABL1 244/4885

“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.