SCHEMBL1460438

SCHEMBL1460438

COc1ccc(C#N)cc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.62
MET P08581 1/20 0.62
LRRK2 Q5S007 2/20 0.60
ALK Q9UM73 2/20 0.57
ROS1 P08922 1/20 0.57
MAPK3 P27361 1/20 0.55
INSR P06213 1/20 0.55

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
SCHEMBL1459614 0.91 LRRK2 (0.55) EGFRMETLRRK2ALKINSR
SCHEMBL1460622 0.89 LRRK2 (0.59) EGFRMETLRRK2ALK
SCHEMBL1459616 0.88 EGFR (0.56) EGFRMETLRRK2ALKROS1
SCHEMBL600864 0.87 GLO1 (0.58) EGFRMETLRRK2ALKROS1
SCHEMBL9911236 0.87 EGFR (0.64) EGFRMETLRRK2ALKROS1
Hydrochloric Acid SCHEMBL1707842 0.86 EGFR (0.63) EGFRMETLRRK2ALKROS1
SCHEMBL600894 0.85 GLO1 (0.56) EGFRMETLRRK2ALKROS1
SCHEMBL1039383 0.84 MAPK9 (0.66) EGFRMETALKROS1MAPK3
SCHEMBL10011055 0.84 EGFR (0.61) EGFRMETLRRK2ALKMAPK3
SCHEMBL1036294 0.83 ALK (0.68) EGFRMETLRRK2ALK

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 EGFR 834/4885MET 3979/4885LRRK2 1037/4885

“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.