Sugi Predict

Sugi Predict / Compounds / SCHEMBL3496014

SCHEMBL3496014

SCHEMBL3496014

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.40
▸ PTK2 Q05397 2/20 0.40
▸ AURKA O14965 2/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ RET P07949 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ LTK P29376 1/20 0.40
▸ WEE1 P30291 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
SCHEMBL3495251 0.93 PRKCQ (0.37) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL3494607 0.92 SYK (0.36) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL3495540 0.91 PRKCQ (0.37) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL3495604 0.91 SYK (0.36) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL3496173 0.91 LRRK2 (0.41) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL3495610 0.89 RORC (0.43) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL3497214 0.89 JAK1 (0.40) LRRK2PDGFRAWEE1JAK3ALK
SCHEMBL3497291 0.88 AURKA (0.38) LRRK2AURKAFGFR1JAK3SYK
SCHEMBL3497977 0.88 PRKCQ (0.47) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL3496385 0.88 SLC2A1 (0.37) LRRK2PTK2AURKASLC2A1SYK

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 LRRK2 311/4885PTK2 513/4885AURKA 495/4885

“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.