SCHEMBL3497299

SCHEMBL3497299

COc1ccc(Nc2ncc(F)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)cc1-c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.56
BCL6 P41182 2/20 0.45
RET P07949 1/20 0.43
KIF5B P33176 1/20 0.43
KDR P35968 1/20 0.43
ETV6 P41212 1/20 0.43
KCNH2 Q12809 1/20 0.43
CCDC6 Q16204 1/20 0.43
EGFR P00533 6/20 0.43
ITK Q08881 3/20 0.43
ULK1 O75385 1/20 0.43
ULK2 Q8IYT8 1/20 0.43
BTK Q06187 2/20 0.42
AURKA O14965 3/20 0.41
AURKB Q96GD4 1/20 0.41
ALK Q9UM73 1/20 0.41
EHMT2 Q96KQ7 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
MAP3K7 O43318 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL3497348 0.92 PRKCQ (0.55) PRKCQBCL6RETKIF5BKDR
SCHEMBL3494878 0.92 PRKCQ (0.54) PRKCQRETKDREGFRITK
SCHEMBL3495428 0.91 PRKCQ (0.50) PRKCQBCL6RETKIF5BKDR
SCHEMBL3495629 0.89 PRKCQ (0.54) PRKCQRETKDREGFRITK
SCHEMBL3495485 0.89 PRKCQ (0.53) PRKCQRETKDREGFRITK
SCHEMBL3495756 0.88 PRKCQ (0.54) PRKCQBCL6RETKIF5BKDR
SCHEMBL3496333 0.87 PRKCQ (0.54) PRKCQRETKDREGFRITK
SCHEMBL1740955 0.87 PRKCQ (0.51) PRKCQBCL6EGFRITKULK1
SCHEMBL3496359 0.87 PRKCQ (0.51) PRKCQBCL6EGFRITKBTK
SCHEMBL3495227 0.86 PRKCQ (0.53) PRKCQBCL6RETKIF5BKDR

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 3/4885BCL6 3211/4885RET 283/4885

“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.