SCHEMBL1459614

SCHEMBL1459614

CCS(=O)(=O)Nc1ccccc1Nc1nc(Nc2cc(C#N)ccc2OC)ncc1Cl

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.55
ALK Q9UM73 13/20 0.53
INSR P06213 10/20 0.53
EGFR P00533 6/20 0.53
MET P08581 1/20 0.52

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
SCHEMBL1460438 0.91 EGFR (0.62) LRRK2ALKINSREGFRMET
SCHEMBL602306 0.88 MAPK9 (0.47) LRRK2ALKINSREGFRMET
SCHEMBL10011852 0.84 MAPK3 (0.59) LRRK2ALKINSR
SCHEMBL1459624 0.83 MAPK3 (0.62) LRRK2ALKINSREGFRMET
SCHEMBL1460618 0.82 MAPK3 (0.61) ALKINSR
SCHEMBL1460622 0.80 LRRK2 (0.59) LRRK2ALKEGFRMET
SCHEMBL1459616 0.79 EGFR (0.56) LRRK2ALKEGFRMET
SCHEMBL600864 0.78 GLO1 (0.58) LRRK2ALKEGFRMET
SCHEMBL9911236 0.78 EGFR (0.64) LRRK2ALKINSREGFRMET
Hydrochloric Acid SCHEMBL1707842 0.77 EGFR (0.63) LRRK2ALKINSREGFRMET

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 9 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
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 LRRK2 1037/4885ALK 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.