SCHEMBL3495533

SCHEMBL3495533

COc1ccc(Nc2ncc(F)c(NC3CCC(C)(C)N(C)C(C)(C)C3)n2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 6/20 0.55
ULK2 Q8IYT8 2/20 0.55
PRKCQ Q04759 2/20 0.52
BCL6 P41182 2/20 0.47
FLT3 P36888 4/20 0.45
KIT P10721 2/20 0.45
PTK2 Q05397 1/20 0.42
JAK3 P52333 2/20 0.42
JAK2 O60674 1/20 0.42
CYP3A4 P08684 1/20 0.42
JAK1 P23458 1/20 0.42
CHEK1 O14757 3/20 0.42
AURKA O14965 2/20 0.42
NTRK1 P04629 1/20 0.42
CDK1 P06493 1/20 0.42
IGF1R P08069 1/20 0.42
EPHA1 P21709 1/20 0.42
CDK2 P24941 1/20 0.42
BMX P51813 1/20 0.42
CDK6 Q00534 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
SCHEMBL3494060 0.94 PRKCQ (0.57) ULK1ULK2PRKCQBCL6FLT3
SCHEMBL3496256 0.91 PRKCQ (0.55) ULK1ULK2PRKCQBCL6FLT3
SCHEMBL3497111 0.88 BCL6 (0.61) ULK1ULK2PRKCQBCL6EGFR
SCHEMBL3495574 0.86 ULK1 (0.51) ULK1ULK2PRKCQBCL6FLT3
SCHEMBL3495182 0.85 ULK1 (0.56) ULK1ULK2PRKCQFLT3KIT
SCHEMBL3497332 0.85 PRKCQ (0.56) ULK1ULK2PRKCQBCL6FLT3
SCHEMBL3495061 0.84 PRKCQ (0.61) ULK1ULK2PRKCQBCL6PTK2
SCHEMBL3497272 0.84 PRKCQ (0.55) ULK1ULK2PRKCQFLT3KIT
SCHEMBL3494648 0.84 PRKCQ (0.61) ULK1ULK2PRKCQBCL6AURKA
SCHEMBL3496203 0.84 PRKCQ (0.57) ULK1ULK2PRKCQBCL6FLT3

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 407/4885PRKCQ 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.