SCHEMBL602415

SCHEMBL602415

CC(=O)Nc1c(F)cccc1Nc1nc(Cl)ncc1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 3/20 0.40
MAPK10 P53779 3/20 0.40
MAPK9 P45984 2/20 0.40
ULK1 O75385 1/20 0.40
EGFR P00533 2/20 0.40
ALK Q9UM73 3/20 0.39
ROS1 P08922 2/20 0.39
INSR P06213 3/20 0.38
MAPK8 P45983 2/20 0.38
MAPT P10636 1/20 0.38
AURKA O14965 2/20 0.37
MET P08581 2/20 0.37

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
SCHEMBL31147673 0.87 LCK (0.46) MAPK3ULK1EGFRALKROS1
SCHEMBL25005393 0.87 LCK (0.46) MAPK3ULK1EGFRALKROS1
SCHEMBL29549982 0.85 MAPK3 (0.52) MAPK3EGFR
SCHEMBL22807447 0.85 MAPK3 (0.52) MAPK3EGFR
SCHEMBL1221669 0.82 AURKA (0.43) EGFRALKMAPK8AURKA
SCHEMBL29904740 0.82 ROS1 (0.52) MAPK3ULK1EGFRALKROS1
SCHEMBL25004486 0.82 ROS1 (0.52) MAPK3ULK1EGFRALKROS1
SCHEMBL25005392 0.80 MAPK3 (0.41) MAPK3ULK1EGFRALKROS1
SCHEMBL1202601 0.79 ULK1 (0.50) MAPK3MAPK10MAPK9ULK1ALK
SCHEMBL1204114 0.78 MAPK10 (0.49) MAPK10MAPK9ULK1MAPK8MAPT

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 12 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 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
EP-2419423-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS Cellzome Limited (GB) 2012-02-22 EP disclosed
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US disclosed
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US disclosed
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 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
WO-2010118986-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2010-10-21 WO disclosed
WO-2010118986-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2010-10-21 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 (2 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-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS JAK3, JAK2, JAK1 MAPK3 19/4885MAPK10 626/4885MAPK9 211/4885
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 MAPK3 45/4885MAPK10 567/4885MAPK9 179/4885

“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.