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Sugi Predict / Compounds / SCHEMBL3496394

SCHEMBL3496394

SCHEMBL3496394

CN1C(C)(C)CC(Nc2nc(Nc3ccc4c(c3)OC(F)(F)C(F)(F)O4)ncc2F)CC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 3/20 0.55
▸ ULK1 O75385 5/20 0.51
▸ SYK P43405 10/20 0.47
▸ BTK Q06187 2/20 0.43
▸ BMX P51813 1/20 0.43
▸ KDR P35968 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ DCLK1 O15075 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ CHEK2 O96017 1/20 0.39

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
SCHEMBL3495491 0.94 ULK1 (0.58) PRKCQULK1SYKBTKBMX
SCHEMBL3497219 0.93 PRKCQ (0.54) PRKCQULK1SYKBTKBMX
SCHEMBL3495417 0.90 PRKCQ (0.51) PRKCQULK1SYKBTKBMX
SCHEMBL3494281 0.89 PRKCQ (0.51) PRKCQULK1SYKBTKBMX
SCHEMBL3494882 0.88 SYK (0.62) PRKCQULK1SYKBTKBMX
SCHEMBL3494055 0.88 ULK1 (0.56) PRKCQULK1SYKBTKBMX
SCHEMBL3496386 0.87 SYK (0.58) PRKCQULK1SYKBTKBMX
SCHEMBL3495124 0.87 PRKCQ (0.51) PRKCQULK1SYKBTKKDR
SCHEMBL3495899 0.85 PRKCQ (0.59) PRKCQSYKBTKKDRCDK2
SCHEMBL3494631 0.83 PRKCQ (0.49) PRKCQULK1SYKBTKBMX

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 PRKCQ 3/4885ULK1 832/4885SYK 460/4885

“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.