SCHEMBL3497130

SCHEMBL3497130

COc1ccc(Nc2ncc(C(F)(F)F)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 14/20 0.64
ULK2 Q8IYT8 5/20 0.64
PTK2 Q05397 1/20 0.56
BRD4 O60885 1/20 0.53
BCL6 P41182 2/20 0.51
KIT P10721 1/20 0.51
FLT3 P36888 1/20 0.51
PRKCQ Q04759 1/20 0.47

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
SCHEMBL3496523 0.89 STK17B (0.54) ULK1ULK2BRD4BCL6FLT3
SCHEMBL3495051 0.88 BCL6 (0.63) ULK1ULK2PTK2BRD4BCL6
SCHEMBL3496651 0.87 BCL6 (0.52) ULK1ULK2BRD4BCL6PRKCQ
SCHEMBL3496821 0.87 ULK1 (0.66) ULK1ULK2BRD4KITFLT3
SCHEMBL3496433 0.85 ULK1 (0.49) ULK1ULK2
SCHEMBL3494060 0.85 PRKCQ (0.57) ULK1ULK2PTK2BRD4BCL6
SCHEMBL3494581 0.84 BRD4 (0.53) ULK1ULK2BRD4KITFLT3
SCHEMBL3496354 0.84 BCL6 (0.49) ULK1ULK2BRD4BCL6FLT3
SCHEMBL3495182 0.84 ULK1 (0.56) ULK1ULK2PTK2BRD4KIT
SCHEMBL3495452 0.83 ULK1 (0.49) ULK1ULK2KITFLT3

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 407/4885PTK2 513/4885

“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.