SCHEMBL3495668

SCHEMBL3495668

COc1ccc(Nc2ncc(F)c(NC3CC(C)(C)N(C)C3(C)C)n2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.50
ULK2 Q8IYT8 1/20 0.50
PRKCQ Q04759 2/20 0.49
BCL6 P41182 5/20 0.48
EGFR P00533 1/20 0.48
ITK Q08881 1/20 0.48
BRD4 O60885 2/20 0.46
ALK Q9UM73 1/20 0.43
SYK P43405 4/20 0.43
AURKA O14965 2/20 0.43
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL3496406 0.92 BCL6 (0.59) PRKCQBCL6BRD4SYK
SCHEMBL3495574 0.90 ULK1 (0.51) ULK1ULK2PRKCQBCL6EGFR
SCHEMBL3495055 0.90 PRKCQ (0.50) ULK1ULK2PRKCQBCL6EGFR
SCHEMBL3494648 0.89 PRKCQ (0.61) ULK1ULK2PRKCQBCL6EGFR
SCHEMBL3496256 0.84 PRKCQ (0.55) ULK1ULK2PRKCQBCL6EGFR
SCHEMBL3495061 0.83 PRKCQ (0.61) ULK1ULK2PRKCQBCL6EGFR
SCHEMBL3496203 0.83 PRKCQ (0.57) ULK1ULK2PRKCQBCL6EGFR
SCHEMBL13270167 0.83 PRKCQ (0.57) ULK1ULK2PRKCQBCL6EGFR
SCHEMBL1741121 0.82 PRKCQ (0.57) ULK1ULK2PRKCQBCL6EGFR
SCHEMBL3494008 0.82 PRKCQ (0.57) ULK1ULK2PRKCQBCL6EGFR

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 5 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
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 ULK1 832/4885ULK2 407/4885PRKCQ 3/4885

“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.