Sugi Predict

Sugi Predict / Compounds / SCHEMBL3496272

SCHEMBL3496272

SCHEMBL3496272

CN1C(C)(C)CC(Nc2nc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)c(C(F)(F)F)c3)ncc2C(N)=O)CC1(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 18/20 0.59
▸ JAK1 P23458 3/20 0.59
▸ JAK2 O60674 2/20 0.59
▸ JAK3 P52333 2/20 0.59
▸ MTOR P42345 2/20 0.52
▸ CHEK1 O14757 2/20 0.51
▸ RET P07949 2/20 0.51
▸ TYK2 P29597 2/20 0.51
▸ FLT3 P36888 2/20 0.51
▸ RPS6KA3 P51812 2/20 0.51
▸ MAPK10 P53779 2/20 0.51
▸ STK4 Q13043 2/20 0.51
▸ STK3 Q13188 2/20 0.51
▸ MARK2 Q7KZI7 2/20 0.51
▸ TBK1 Q9UHD2 2/20 0.51
▸ RPS6KA6 Q9UK32 2/20 0.51
▸ NUAK1 O60285 1/20 0.51
▸ CSF1R P07333 1/20 0.51
▸ FLT4 P35916 1/20 0.51
▸ MAP3K9 P80192 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
SCHEMBL1743374 0.90 BRD4 (0.49) SYKJAK1JAK2JAK3CHEK1
SCHEMBL3495928 0.90 SYK (0.65) SYKJAK1JAK2JAK3CHEK1
SCHEMBL1743372 0.90 SYK (0.47) SYKJAK1JAK2JAK3MTOR
SCHEMBL13268479 0.89 BRD4 (0.55) SYKJAK1JAK2JAK3FLT3
SCHEMBL1741976 0.89 BRD4 (0.48) SYKJAK1JAK2JAK3CHEK1
SCHEMBL13248983 0.87 BRD4 (0.46) SYKJAK1JAK2JAK3MTOR
SCHEMBL13248970 0.86 BRD4 (0.46) SYKJAK1JAK2JAK3MTOR
SCHEMBL1741098 0.86 BRD4 (0.46) SYKJAK1JAK2JAK3MTOR
SCHEMBL1741104 0.86 CCNA2 (0.48) SYKJAK1JAK2JAK3MTOR
Benzoic Acid SCHEMBL3495871 0.86 BRD4 (0.44) SYKJAK1JAK2JAK3MTOR

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 SYK 460/4885JAK1 292/4885JAK2 268/4885

“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.