SCHEMBL1459624

SCHEMBL1459624

CCS(=O)(=O)Nc1ccccc1Nc1nc(Nc2cc(C(=O)NC)ccc2OC)ncc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 2/20 0.62
ALK Q9UM73 13/20 0.54
INSR P06213 9/20 0.54
PTK2 Q05397 4/20 0.53
ULK1 O75385 1/20 0.53
MAP4K1 Q92918 1/20 0.53
MET P08581 3/20 0.52
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
DCLK1 O15075 1/20 0.51
PDPK1 O15530 1/20 0.51
DAPK3 O43293 1/20 0.51
DYRK3 O43781 1/20 0.51
JAK2 O60674 1/20 0.51
PRKD3 O94806 1/20 0.51
PAK4 O96013 1/20 0.51
CHEK2 O96017 1/20 0.51
EGFR P00533 1/20 0.51

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
SCHEMBL1460618 0.92 MAPK3 (0.61) MAPK3ALKINSR
SCHEMBL1460540 0.91 MAPK3 (0.63) MAPK3ALKPTK2METEGFR
SCHEMBL10011852 0.91 MAPK3 (0.59) MAPK3ALKINSRAURKALRRK2
SCHEMBL601332 0.88 ULK1 (0.52) MAPK3ALKPTK2ULK1MET
SCHEMBL10292068 0.86 MAPK3 (0.61) MAPK3ALKINSRMETEGFR
SCHEMBL1460878 0.83 MAPK3 (0.62) MAPK3ALKINSRMETEGFR
SCHEMBL1459614 0.83 LRRK2 (0.55) ALKINSRMETEGFRLRRK2
SCHEMBL10011055 0.82 EGFR (0.61) MAPK3ALKINSRMETEGFR
SCHEMBL4089313 0.82 ALK (0.59) MAPK3ALKINSR
SCHEMBL1459625 0.82 EGFR (0.67) MAPK3PTK2METEGFRLRRK2

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
EP-2475648-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS Cellzome Limited (GB) 2012-07-18 EP claimed
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US claimed
WO-2011029807-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-03-17 WO claimed
EP-2475648-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS Cellzome Limited (GB) 2012-07-18 EP disclosed
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
WO-2011029807-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-03-17 WO disclosed
WO-2011029807-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-03-17 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-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 MAPK3 45/4885ALK 545/4885INSR 1340/4885

“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.