SCHEMBL10241924

SCHEMBL10241924

COc1cccc(Nc2nc(Nc3ccc(NC(C)=O)cc3)ncc2C(N)=O)c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.73
ITK Q08881 3/20 0.73
SYK P43405 10/20 0.70
MAPK8 P45983 2/20 0.67
MAPK9 P45984 1/20 0.67
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
BTK Q06187 1/20 0.58
AURKA O14965 1/20 0.57

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
SCHEMBL21108861 0.95 EGFR (0.80) EGFRITKSYKMAPK8MAPK9
SCHEMBL14658806 0.91 MAPK8 (0.77) EGFRITKSYKMAPK8MAPK9
SCHEMBL3175075 0.88 MAPK8 (0.82) EGFRITKSYKMAPK8MAPK9
SCHEMBL763232 0.87 SYK (0.69) EGFRSYKMAPK8MAPK9
SCHEMBL15161204 0.87 SYK (0.66) EGFRITKSYKMAPK8MAPK9
SCHEMBL21110440 0.86 EGFR (0.81) EGFRITKSYKMAPK8MAPK9
SCHEMBL21109601 0.86 EGFR (0.66) EGFRITKSYKMTNR1AMTNR1B
SCHEMBL3170157 0.86 MAPK8 (0.79) EGFRITKSYKMAPK8MAPK9
SCHEMBL915061 0.85 EGFR (0.67) EGFRITKSYKMAPK8MAPK9
SCHEMBL12518559 0.84 EGFR (1.00) EGFRITKSYKBTK

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-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 EGFR 966/4885ITK 59/4885SYK 1/4885

“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.