SCHEMBL3495757

SCHEMBL3495757

CN1C(C)(C)CC(Nc2nc(Nc3ccc4c(c3)OCCO4)ncc2C#C[Si](C)(C)C)CC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 4/20 0.49
SYK P43405 7/20 0.48
BRD4 O60885 4/20 0.45
STK17A Q9UEE5 2/20 0.42
BMX P51813 1/20 0.41
BTK Q06187 1/20 0.41
STK17B O94768 1/20 0.41
PRKCQ Q04759 1/20 0.40
IGF1R P08069 1/20 0.40

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
SCHEMBL3495134 0.89 ULK1 (0.51) ULK1SYKBRD4STK17ABMX
SCHEMBL3496445 0.89 ULK1 (0.51) ULK1SYKBRD4STK17ABMX
SCHEMBL3494248 0.85 BRD4 (0.58) ULK1SYKBRD4STK17ABMX
SCHEMBL3494882 0.84 SYK (0.62) ULK1SYKBRD4BMXBTK
SCHEMBL3496761 0.84 ULK1 (0.53) ULK1SYKBRD4STK17ABMX
SCHEMBL3497205 0.83 ULK1 (0.52) ULK1SYKBRD4STK17ABMX
SCHEMBL3496386 0.82 SYK (0.58) ULK1SYKBMXBTKPRKCQ
SCHEMBL3643284 0.81 PRKCQ (0.38) ULK1SYKPRKCQ
SCHEMBL3496431 0.81 PRKCQ (0.55) ULK1SYKBRD4PRKCQIGF1R
SCHEMBL3495604 0.80 SYK (0.36) ULK1SYKBTKPRKCQIGF1R

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 832/4885SYK 460/4885BRD4 1173/4885

“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.