Sugi Predict

Sugi Predict / Compounds / SCHEMBL3496783

SCHEMBL3496783

SCHEMBL3496783

CC1(C)CC(Nc2nc(Nc3ccc4c(c3)OC3(CCCCC3)O4)ncc2F)CC(C)(C)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 6/20 0.47
▸ SYK P43405 12/20 0.42
▸ BMX P51813 2/20 0.42
▸ BTK Q06187 2/20 0.42
▸ PRKCQ Q04759 1/20 0.39
▸ BCL6 P41182 1/20 0.38
▸ BMPR1B O00238 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ STK25 O00506 1/20 0.37
▸ CIT O14578 1/20 0.37
▸ RIOK3 O14730 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ GAK O14976 1/20 0.37
▸ CHUK O15111 1/20 0.37
▸ MUSK O15146 1/20 0.37
▸ EPHB6 O15197 1/20 0.37

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
SCHEMBL3496587 0.99 ULK1 (0.47) ULK1SYKBMXBTKPRKCQ
SCHEMBL3496541 0.92 ULK1 (0.50) ULK1SYKBMXBTKPRKCQ
SCHEMBL3494281 0.89 PRKCQ (0.51) ULK1SYKBMXBTKPRKCQ
SCHEMBL3495417 0.88 PRKCQ (0.51) ULK1SYKBMXBTKPRKCQ
SCHEMBL1740137 0.84 SYK (0.58) ULK1SYKBMXBTKEGFR
SCHEMBL3497219 0.80 PRKCQ (0.54) ULK1SYKBMXBTKPRKCQ
SCHEMBL3495703 0.79 BTK (0.46) ULK1SYKBMXBTKEGFR
SCHEMBL1741789 0.78 BMX (0.44) ULK1SYKBMXBTKEGFR
SCHEMBL3495491 0.77 ULK1 (0.58) ULK1SYKBMXBTKPRKCQ
SCHEMBL3496394 0.77 PRKCQ (0.55) ULK1SYKBMXBTKPRKCQ

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 ULK1 832/4885SYK 460/4885BMX 405/4885

“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.