SCHEMBL5576850

SCHEMBL5576850

CC(C)NC(=O)C1CCCC1Nc1nc(Nc2ccc(NC(=O)O)cc2)ncc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.56
PTK2 Q05397 9/20 0.53
PTK2B Q14289 8/20 0.53
KIT P10721 6/20 0.53
FLT3 P36888 6/20 0.53
KCNH2 Q12809 1/20 0.52
ULK2 Q8IYT8 1/20 0.47
AURKA O14965 1/20 0.47
EGFR P00533 1/20 0.47
NTRK1 P04629 1/20 0.47
CDK1 P06493 1/20 0.47
IGF1R P08069 1/20 0.47
EPHA1 P21709 1/20 0.47
CDK2 P24941 1/20 0.47
BMX P51813 1/20 0.47
JAK3 P52333 1/20 0.47
CDK6 Q00534 1/20 0.47
PAK1 Q13153 1/20 0.47
ALK Q9UM73 1/20 0.47

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
SCHEMBL5576857 1.00 ULK1 (0.56) ULK1PTK2PTK2BKITFLT3
SCHEMBL5575711 0.93 KIT (0.62) ULK1PTK2PTK2BKITFLT3
SCHEMBL5575713 0.93 KIT (0.62) ULK1PTK2PTK2BKITFLT3
SCHEMBL10149253 0.91 PTK2 (0.57) ULK1PTK2PTK2BKITFLT3
SCHEMBL579158 0.91 PTK2 (0.57) ULK1PTK2PTK2BKITFLT3
SCHEMBL2526061 0.91 PTK2 (0.57) ULK1PTK2PTK2BKITFLT3
SCHEMBL12234204 0.91 ULK1 (0.63) ULK1PTK2PTK2BKITFLT3
SCHEMBL14616066 0.90 ULK1 (0.60) ULK1PTK2PTK2BKITFLT3
SCHEMBL12235598 0.90 ULK1 (0.60) ULK1PTK2PTK2BKITFLT3
SCHEMBL15328911 0.90 ULK1 (0.60) ULK1PTK2PTK2BKITFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 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 (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-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors AURKA, AURKC, AURKB ULK1 1849/4885PTK2 835/4885PTK2B 390/4885
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS AURKA, AURKC, AURKB ULK1 1849/4885PTK2 835/4885PTK2B 390/4885

“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.