SCHEMBL3497333

SCHEMBL3497333

CCOC(=O)N1CCC(Nc2nc(Nc3cccc(N4CCN(C)CC4)c3)ncc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.54
ITK Q08881 2/20 0.54
BTK Q06187 2/20 0.54
JAK2 O60674 2/20 0.52
JAK1 P23458 2/20 0.52
JAK3 P52333 1/20 0.52
CDK2 P24941 5/20 0.51
CCNT1 O60563 4/20 0.51
CDK9 P50750 4/20 0.51
SIK1 P57059 2/20 0.51
SIK2 Q9H0K1 2/20 0.51
SIK3 Q9Y2K2 2/20 0.51
ALK Q9UM73 2/20 0.51
CCNE1 P24864 2/20 0.51
BRD4 O60885 2/20 0.50
CDK1 P06493 3/20 0.49
CCNB1 P14635 2/20 0.49
CCNA2 P20248 2/20 0.49
CDK7 P50613 2/20 0.49
CCNH P51946 2/20 0.49

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
SCHEMBL12952346 0.93 EGFR (0.55) EGFRITKBTKJAK2JAK1
SCHEMBL5105140 0.90 BRD4 (0.61) EGFRITKBTKJAK2JAK1
SCHEMBL5096075 0.89 EGFR (0.50) EGFRITKBTKJAK2JAK1
SCHEMBL3495111 0.87 EGFR (0.61) EGFRITKBTKJAK2JAK1
SCHEMBL3495504 0.87 EGFR (0.56) EGFRITKBTKJAK2JAK3
SCHEMBL5098343 0.86 EGFR (0.52) EGFRITKBTKJAK2JAK1
SCHEMBL5098344 0.86 EGFR (0.52) EGFRITKBTKJAK2JAK1
SCHEMBL3497282 0.85 SYK (0.54) EGFRITKBTKJAK3CDK2
SCHEMBL5104881 0.85 ALK (0.55) EGFRITKBTKCDK2CCNT1
SCHEMBL3496601 0.85 ALK (0.52) EGFRITKBTKJAK2JAK3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452879-B2 N4-(1-tert-Butoxycarbonylazetidin-3-yl)-5-fluoro-N2-(4-morpholinophenyl)-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for IgE (\"Fc epsilon RI\") and IgG (\"Fc gamma RI\") antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2008-11-18 US 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 EGFR 1181/4885ITK 1065/4885BTK 97/4885

“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.