SCHEMBL601592

SCHEMBL601592

CCNC(=O)c1ccc(F)c(Nc2ncc(F)c(Nc3ccccc3NS(=O)(=O)CC)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 4/20 0.49
AURKA O14965 11/20 0.48
MAPK3 P27361 1/20 0.44
JAK2 O60674 2/20 0.43
AURKB Q96GD4 2/20 0.43
CDC7 O00311 1/20 0.42
MAPK8 P45983 1/20 0.42
ALK Q9UM73 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL602416 0.93 GLO1 (0.59) GLO1AURKAMAPK3JAK2AURKB
SCHEMBL600188 0.92 ALK (0.47) GLO1MAPK3ALK
SCHEMBL10083888 0.85 ALK (0.55) GLO1MAPK3ALKLRRK2
SCHEMBL602383 0.85 ALK (0.45) GLO1MAPK3ALK
SCHEMBL601332 0.84 ULK1 (0.52) GLO1MAPK3ALK
SCHEMBL10012115 0.84 GLO1 (0.56) GLO1AURKAMAPK3ALKLRRK2
SCHEMBL625786 0.82 GLO1 (0.62) GLO1AURKAMAPK3JAK2AURKB
SCHEMBL601520 0.82 MAPK3 (0.56) GLO1AURKAMAPK3JAK2AURKB
SCHEMBL603777 0.81 PTK2 (0.60) AURKAAURKBLRRK2
SCHEMBL602882 0.80 GLO1 (0.64) GLO1AURKAMAPK3JAK2AURKB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US claimed
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
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 (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-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS JAK3, JAK2, JAK1 GLO1 3765/4885AURKA 792/4885MAPK3 19/4885

“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.