SCHEMBL5550728

SCHEMBL5550728

COC(=O)c1cc2c(Nc3ccc(-c4ccccc4)cc3)cnc(C#N)c2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 3/20 0.50
PAK4 O96013 1/20 0.43
CSNK2A2 P19784 1/20 0.43
AKT1 P31749 1/20 0.43
PLK1 P53350 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
MAP2K1 Q02750 1/20 0.40
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 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
SCHEMBL5555801 0.92 MAP3K8 (0.59) MAP3K8PAK4CSNK2A1MAP2K1ABL1
SCHEMBL5550172 0.85 MAP3K8 (0.53) MAP3K8PAK4CSNK2A2AKT1PLK1
SCHEMBL5550805 0.85 MAP3K8 (0.53) MAP3K8PAK4CSNK2A2AKT1PLK1
SCHEMBL5555006 0.77 MAP3K8 (0.83) MAP3K8PAK4CSNK2A2AKT1PLK1
SCHEMBL5550740 0.76 MAP3K8 (0.63) MAP3K8CSNK2A1MAP2K1KDM4EALDH1A1
SCHEMBL5553836 0.74 MAP3K8 (0.45) MAP3K8PAK4CSNK2A2AKT1PLK1
SCHEMBL5554216 0.74 MAP3K8 (0.60) MAP3K8PAK4AKT1PLK1CSNK2A1
SCHEMBL5553894 0.74 MAP3K8 (0.64) MAP3K8PAK4AKT1PLK1CSNK2A1
SCHEMBL5553787 0.72 MAP3K8 (0.65) MAP3K8PAK4AKT1PLK1CSNK2A1
SCHEMBL5553889 0.72 MAP3K8 (0.65) MAP3K8PAK4AKT1PLK1CSNK2A1

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
EP-1753428-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2007-02-21 EP disclosed
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 US disclosed
WO-2005110410-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-11-24 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-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 MAP3K8 13/4885PAK4 208/4885CSNK2A2 144/4885

“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.