SCHEMBL578094

SCHEMBL578094

CC(C)NC(=O)C1CCC1Nc1nc(Nc2ccc(C(=O)O)cc2)ncc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
PTK2 Q05397 9/20 0.54
PTK2B Q14289 4/20 0.54
KIT P10721 7/20 0.52
FLT3 P36888 7/20 0.52
ULK1 O75385 3/20 0.52
AURKA O14965 1/20 0.51
EGFR P00533 1/20 0.51
NTRK1 P04629 1/20 0.51
CDK1 P06493 1/20 0.51
IGF1R P08069 1/20 0.51
EPHA1 P21709 1/20 0.51
CDK2 P24941 1/20 0.51
BMX P51813 1/20 0.51
JAK3 P52333 1/20 0.51
CDK6 Q00534 1/20 0.51
PAK1 Q13153 1/20 0.51
ALK Q9UM73 1/20 0.51
KCNH2 Q12809 1/20 0.49

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
SCHEMBL4292631 1.00 GSK3A (0.57) GSK3AGSK3BPTK2PTK2BKIT
SCHEMBL2526061 0.96 PTK2 (0.57) GSK3AGSK3BPTK2PTK2BKIT
SCHEMBL579158 0.96 PTK2 (0.57) GSK3AGSK3BPTK2PTK2BKIT
SCHEMBL10149253 0.96 PTK2 (0.57) GSK3AGSK3BPTK2PTK2BKIT
SCHEMBL5576857 0.87 ULK1 (0.56) PTK2PTK2BKITFLT3ULK1
SCHEMBL5576850 0.87 ULK1 (0.56) PTK2PTK2BKITFLT3ULK1
SCHEMBL13808079 0.86 GSK3A (0.62) GSK3AGSK3BPTK2PTK2BKIT
SCHEMBL15328911 0.86 ULK1 (0.60) PTK2PTK2BKITFLT3ULK1
SCHEMBL12235598 0.86 ULK1 (0.60) PTK2PTK2BKITFLT3ULK1
SCHEMBL14616066 0.86 ULK1 (0.60) PTK2PTK2BKITFLT3ULK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
EP-2027107-B1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 EP disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US 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-20090163467-A1 New compounds CCNA1, MKI67, CCNT1 GSK3A 1514/4885GSK3B 1179/4885PTK2 1550/4885

“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.