SCHEMBL3496131

SCHEMBL3496131

CN1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)cc2)CC1C#N

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 4/20 0.45
ULK2 Q8IYT8 2/20 0.45
EGFR P00533 1/20 0.44
BRD4 O60885 2/20 0.43
CHEK1 O14757 8/20 0.43
KIT P10721 2/20 0.42
FLT3 P36888 2/20 0.42
WEE1 P30291 1/20 0.41
ALK Q9UM73 1/20 0.41
FGFR1 P11362 1/20 0.41
LRRK2 Q5S007 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
SCHEMBL3497844 0.90 PRKCQ (0.49) EGFRBRD4FLT3ALK
SCHEMBL3496552 0.89 ALK (0.46) BRD4ALK
SCHEMBL3494584 0.88 ULK1 (0.47) ULK1ULK2EGFRBRD4KIT
SCHEMBL3496483 0.79 CHEK1 (0.48) ULK1ULK2CHEK1KITFLT3
SCHEMBL3496128 0.78 CHEK1 (0.48) ULK1ULK2EGFRBRD4CHEK1
SCHEMBL1743519 0.78 SLC2A1 (0.44) FLT3WEE1ALKFGFR1LRRK2
SCHEMBL3496979 0.77 PRKCQ (0.51) EGFRBRD4FLT3ALK
SCHEMBL3495490 0.77 PRKCQ (0.49) EGFRBRD4ALK
SCHEMBL1743513 0.77 PRKCQ (0.51) EGFRBRD4FLT3ALK
SCHEMBL3496313 0.77 ULK1 (0.49) ULK1ULK2CHEK1KITFLT3

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 407/4885EGFR 1181/4885

“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.