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Sugi Predict / Compounds / SCHEMBL3496532

SCHEMBL3496532

SCHEMBL3496532

CC1(C)CC(Nc2nc(Nc3ccc4c(c3)OCC(=O)N4CCF)ncc2C#N)CC(C)(C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.41
▸ SLC2A1 P11166 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ PRKCQ Q04759 4/20 0.35
▸ PTK2 Q05397 2/20 0.35
▸ LRRK2 Q5S007 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ RET P07949 1/20 0.35

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
SCHEMBL3496087 0.92 SYK (0.41) SYKSLC2A1GABRG2GABRB3GABRA5
SCHEMBL3496392 0.90 SYK (0.42) SYKGABRG2GABRB3GABRA5FLT3
SCHEMBL3497097 0.89 PRKCQ (0.37) SYKSLC2A1FLT3CHEK1PRKCQ
SCHEMBL3493417 0.85 SYK (0.42) SYKSLC2A1GABRG2GABRB3GABRA5
SCHEMBL3495610 0.84 RORC (0.43) SYKSLC2A1GABRG2GABRB3GABRA5
SCHEMBL3496173 0.84 LRRK2 (0.41) SYKSLC2A1FLT3CHEK1PRKCQ
SCHEMBL3494328 0.81 PRKCQ (0.47) SYKGABRG2GABRB3GABRA5FLT3
SCHEMBL3495251 0.81 PRKCQ (0.37) SYKSLC2A1FLT3PRKCQPTK2
SCHEMBL3496130 0.80 CSNK2A2 (0.35) SLC2A1PRKCQLRRK2CLK4ALK
SCHEMBL3496133 0.79 CYP1A2 (0.42) SYKJAK3TYRO3CLK4

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 460/4885SLC2A1 4131/4885GABRG2 3763/4885

“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.