SCHEMBL3494497

SCHEMBL3494497

CN1CCN(c2ccc(Nc3ncc(F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)cc2CO)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 5/20 0.51
KDR P35968 2/20 0.51
FLT3 P36888 2/20 0.51
PRKCQ Q04759 2/20 0.51
BTK Q06187 2/20 0.51
SYK P43405 2/20 0.51
EGFR P00533 2/20 0.51
JAK2 O60674 2/20 0.51
AXL P30530 2/20 0.51
CDK2 P24941 2/20 0.51
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
DCLK1 O15075 1/20 0.51
PDPK1 O15530 1/20 0.51
DAPK3 O43293 1/20 0.51
ROCK2 O75116 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51

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
SCHEMBL3496976 0.90 FLT3 (0.55) PAK1KDRFLT3PRKCQBTK
SCHEMBL1743511 0.88 BRD4 (0.52) PAK1KDRFLT3PRKCQBTK
SCHEMBL3494050 0.88 TNK2 (0.62) PAK1KDRFLT3PRKCQBTK
SCHEMBL14607292 0.88 SIK1 (0.58) PAK1KDRFLT3PRKCQBTK
SCHEMBL3497842 0.87 KDR (0.50) PAK1KDRFLT3PRKCQBTK
Hydrochloric Acid SCHEMBL27662235 0.87 SIK1 (0.57) PAK1KDRFLT3PRKCQBTK
SCHEMBL3495551 0.86 PRKCQ (0.55) PAK1KDRFLT3PRKCQBTK
SCHEMBL1741267 0.86 CDK2 (0.53) PAK1KDRFLT3PRKCQBTK
SCHEMBL3495826 0.85 BRD4 (0.51) PAK1KDRFLT3PRKCQBTK
SCHEMBL3496224 0.85 SYK (0.59) PAK1KDRFLT3PRKCQBTK

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 PAK1 105/4885KDR 971/4885FLT3 172/4885

“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.