SCHEMBL3496277

SCHEMBL3496277

CCN1C(=O)C(C)(C)Oc2cc(Nc3ncc(C(F)(F)F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 11/20 0.50
FLT3 P36888 8/20 0.47
CHEK1 O14757 7/20 0.47
LRRK2 Q5S007 1/20 0.46
KIT P10721 4/20 0.44
AURKA O14965 1/20 0.44
NTRK1 P04629 1/20 0.44
CDK1 P06493 1/20 0.44
IGF1R P08069 1/20 0.44
EPHA1 P21709 1/20 0.44
CDK2 P24941 1/20 0.44
BMX P51813 1/20 0.44
JAK3 P52333 1/20 0.44
CDK6 Q00534 1/20 0.44
PAK1 Q13153 1/20 0.44
ALK Q9UM73 1/20 0.44
ULK2 Q8IYT8 1/20 0.44

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
SCHEMBL3497977 0.90 PRKCQ (0.47) ULK1FLT3CHEK1LRRK2KIT
SCHEMBL3497214 0.89 JAK1 (0.40) ULK1LRRK2JAK3ALK
SCHEMBL3497291 0.88 AURKA (0.38) ULK1LRRK2AURKAJAK3
SCHEMBL3497354 0.87 LRRK2 (0.45) ULK1FLT3CHEK1LRRK2KIT
SCHEMBL3494607 0.86 SYK (0.36) ULK1FLT3CHEK1LRRK2AURKA
SCHEMBL3496014 0.86 LRRK2 (0.40) ULK1FLT3LRRK2AURKAIGF1R
SCHEMBL3495604 0.85 SYK (0.36) ULK1FLT3CHEK1LRRK2AURKA
SCHEMBL3497116 0.85 PRKCQ (0.47) ULK1FLT3CHEK1LRRK2KIT
SCHEMBL3496340 0.84 PRKCQ (0.47) ULK1FLT3CHEK1LRRK2KIT
SCHEMBL13248969 0.83 PRKCQ (0.47) ULK1FLT3CHEK1LRRK2KIT

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 832/4885FLT3 172/4885CHEK1 184/4885

“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.