SCHEMBL3497121

SCHEMBL3497121

COc1cc(O)cc(Nc2ncc(F)c(NC3CC(C)(C)NC(C)(C)C3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.54
AURKA O14965 6/20 0.48
EGFR P00533 6/20 0.46
ITK Q08881 3/20 0.46
SYK P43405 6/20 0.46
BTK Q06187 3/20 0.45
ULK1 O75385 1/20 0.42
ULK2 Q8IYT8 1/20 0.42

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
SCHEMBL3495736 0.93 PRKCQ (0.58) PRKCQAURKAEGFRITKSYK
SCHEMBL3496535 0.91 SYK (0.46) PRKCQAURKAEGFRITKSYK
SCHEMBL3495402 0.88 PRKCQ (0.69) PRKCQAURKAEGFRITKSYK
SCHEMBL3496097 0.83 SYK (0.54) PRKCQAURKAEGFRITKSYK
SCHEMBL3495751 0.82 SYK (0.51) PRKCQAURKAEGFRITKSYK
SCHEMBL3497169 0.82 PRKCQ (0.60) PRKCQAURKAEGFRITKSYK
SCHEMBL1742249 0.82 PRKCQ (0.52) PRKCQAURKAEGFRITKSYK
SCHEMBL1741118 0.82 PRKCQ (0.52) PRKCQEGFRITKSYKBTK
SCHEMBL3494695 0.81 PRKCQ (0.82) PRKCQAURKAEGFRITKSYK
SCHEMBL3496554 0.81 PRKCQ (0.46) PRKCQEGFRITKSYKBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US claimed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP claimed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO claimed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 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-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ PRKCQ 3/4885AURKA 495/4885EGFR 1181/4885

“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.