SCHEMBL3496529

SCHEMBL3496529

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.47
ULK2 Q8IYT8 1/20 0.47
PKMYT1 Q99640 2/20 0.45
PRKCQ Q04759 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
LRRK2 Q5S007 6/20 0.41
CSNK2A1 P68400 4/20 0.41
CSNK2A2 P19784 3/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
SRC P12931 1/20 0.40
CDK1 P06493 1/20 0.39
KDR P35968 1/20 0.39
BRD4 O60885 2/20 0.39
PLK1 P53350 1/20 0.39

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
SCHEMBL1740741 0.90 PRKCQ (0.41) ULK1ULK2PKMYT1PRKCQTBK1
SCHEMBL3493011 0.89 ULK1 (0.47) ULK1ULK2PKMYT1TBK1LRRK2
SCHEMBL1741121 0.88 PRKCQ (0.57) ULK1ULK2PRKCQEGFRBRD4
SCHEMBL1740950 0.88 PRKCQ (0.39) ULK1ULK2PKMYT1PRKCQTBK1
SCHEMBL3496408 0.87 BRD4 (0.51) ULK1ULK2PRKCQBRD4
SCHEMBL3496354 0.86 BCL6 (0.49) ULK1ULK2PKMYT1PRKCQLRRK2
SCHEMBL3496821 0.86 ULK1 (0.66) ULK1ULK2PRKCQBRD4
SCHEMBL1742353 0.85 PRKCQ (0.38) ULK1ULK2PKMYT1PRKCQTBK1
SCHEMBL1740807 0.85 CSNK2A2 (0.37) ULK1ULK2PKMYT1PRKCQTBK1
SCHEMBL3494325 0.84 PKMYT1 (0.48) ULK1ULK2PKMYT1PRKCQLRRK2

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 ULK1 832/4885ULK2 407/4885PKMYT1 155/4885

“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.