SCHEMBL1460432

SCHEMBL1460432

CNC(=O)c1ccc(OC)c(Nc2ncc(F)c(Nc3ccccc3NS(C)(=O)=O)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.57
GSK3A P49840 1/20 0.57
MAPK15 Q8TD08 1/20 0.57
CAMKK2 Q96RR4 1/20 0.57
GLO1 Q04760 4/20 0.56
PTK2 Q05397 3/20 0.51
AURKA O14965 2/20 0.51
JAK2 O60674 1/20 0.51
NTRK1 P04629 1/20 0.51
TYK2 P29597 1/20 0.51
KDR P35968 1/20 0.51
JAK3 P52333 1/20 0.51
PTK2B Q14289 1/20 0.51
NTRK3 Q16288 1/20 0.51
NTRK2 Q16620 1/20 0.51
MAPK3 P27361 2/20 0.51
EGFR P00533 6/20 0.50
MET P08581 1/20 0.48

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
SCHEMBL10291433 0.91 LRRK2 (0.56) LRRK2GSK3AMAPK15CAMKK2GLO1
SCHEMBL10012141 0.91 GLO1 (0.60) LRRK2GSK3AMAPK15CAMKK2GLO1
SCHEMBL10012115 0.91 GLO1 (0.56) LRRK2GSK3AMAPK15CAMKK2GLO1
SCHEMBL625786 0.90 GLO1 (0.62) LRRK2GSK3AMAPK15CAMKK2GLO1
SCHEMBL10291751 0.90 LRRK2 (0.58) LRRK2GSK3AMAPK15CAMKK2GLO1
SCHEMBL1460540 0.90 MAPK3 (0.63) LRRK2PTK2MAPK3EGFRMET
SCHEMBL1460536 0.88 GLO1 (0.61) LRRK2GSK3AMAPK15CAMKK2GLO1
SCHEMBL1708502 0.85 GLO1 (0.65) LRRK2GSK3AMAPK15CAMKK2GLO1
SCHEMBL1706896 0.85 LRRK2 (0.68) LRRK2GSK3AMAPK15CAMKK2GLO1
SCHEMBL1037328 0.84 GLO1 (0.63) LRRK2GSK3AMAPK15CAMKK2GLO1

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 7 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

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 LRRK2 1037/4885GSK3A 556/4885MAPK15 601/4885

“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.