SCHEMBL3496280

SCHEMBL3496280

COc1ccc(Nc2ncc(F)c(NC3CC(C)(C)N(C=CC(=O)O)C(C)(C)C3)n2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.50
ULK2 Q8IYT8 1/20 0.50
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46
EGFR P00533 11/20 0.46
ITK Q08881 4/20 0.46
PTK2 Q05397 2/20 0.46
BTK Q06187 4/20 0.45
PRKCQ Q04759 1/20 0.44
LRRK2 Q5S007 1/20 0.43
ALK Q9UM73 1/20 0.42
JAK2 O60674 1/20 0.42
CYP3A4 P08684 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
BCL6 P41182 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
SCHEMBL3496278 1.00 ULK1 (0.50) ULK1ULK2KITFLT3EGFR
SCHEMBL3496403 0.91 EGFR (0.51) ULK1ULK2KITFLT3EGFR
SCHEMBL3496399 0.91 EGFR (0.51) ULK1ULK2KITFLT3EGFR
SCHEMBL3495010 0.89 BCL6 (0.53) EGFRITKPTK2BTKPRKCQ
SCHEMBL3495014 0.89 BCL6 (0.53) EGFRITKPTK2BTKPRKCQ
SCHEMBL3495681 0.87 ULK1 (0.51) ULK1ULK2KITFLT3EGFR
SCHEMBL3494060 0.86 PRKCQ (0.57) ULK1ULK2KITFLT3EGFR
SCHEMBL3496360 0.84 PRKCQ (0.57) EGFRITKBTKPRKCQ
SCHEMBL3496369 0.84 PRKCQ (0.57) EGFRITKBTKPRKCQ
SCHEMBL3495533 0.81 ULK1 (0.55) ULK1ULK2KITFLT3EGFR

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 407/4885KIT 378/4885

“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.