Sugi Predict

Sugi Predict / Compounds / SCHEMBL3494545

SCHEMBL3494545

SCHEMBL3494545

CCOC(=O)c1cnc(Nc2ccc(N3CCN(C)C(Cl)C3)cc2)nc1NC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.52
▸ SYK P43405 18/20 0.49
▸ JAK1 P23458 3/20 0.47
▸ CHEK1 O14757 2/20 0.47
▸ RET P07949 2/20 0.47
▸ TYK2 P29597 2/20 0.47
▸ FLT3 P36888 2/20 0.47
▸ RPS6KA3 P51812 2/20 0.47
▸ MAPK10 P53779 2/20 0.47
▸ STK4 Q13043 2/20 0.47
▸ STK3 Q13188 2/20 0.47
▸ MARK2 Q7KZI7 2/20 0.47
▸ TBK1 Q9UHD2 2/20 0.47
▸ RPS6KA6 Q9UK32 2/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ NUAK1 O60285 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ FLT4 P35916 1/20 0.47
▸ MAP3K9 P80192 1/20 0.47

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
SCHEMBL3494605 0.85 BRD4 (0.47) BRD4SYK
SCHEMBL3496819 0.84 ALK (0.49) BRD4SYK
SCHEMBL1743513 0.82 PRKCQ (0.51) BRD4SYKFLT3AURKB
SCHEMBL3494280 0.81 EGFR (0.47) BRD4SYKJAK1JAK2JAK3
SCHEMBL3494544 0.81 BRD4 (0.58) BRD4SYKJAK3SIK2SIK3
SCHEMBL1743519 0.80 SLC2A1 (0.44) SYKJAK1RETFLT3RPS6KA3
SCHEMBL3494584 0.80 ULK1 (0.47) BRD4FLT3ULK1
SCHEMBL3495622 0.79 BRD4 (0.56) BRD4SYKMAP4K3
SCHEMBL1743377 0.78 SYK (0.51) BRD4SYKJAK1CHEK1RET
SCHEMBL3496323 0.78 PRKCQ (0.48) BRD4SYKJAK1CHEK1RET

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 BRD4 1173/4885SYK 460/4885JAK1 292/4885

“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.