SCHEMBL3494050

SCHEMBL3494050

Cc1cc(Nc2ncc(F)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)ccc1N1CCN(C)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.62
FLT3 P36888 4/20 0.62
AXL P30530 3/20 0.62
JAK2 O60674 3/20 0.62
JAK3 P52333 3/20 0.62
KDR P35968 2/20 0.62
PRKCQ Q04759 2/20 0.62
BTK Q06187 2/20 0.62
EGFR P00533 2/20 0.62
CDC7 O00311 1/20 0.62
PLK4 O00444 1/20 0.62
CHEK1 O14757 1/20 0.62
AURKA O14965 1/20 0.62
DCLK1 O15075 1/20 0.62
PDPK1 O15530 1/20 0.62
DAPK3 O43293 1/20 0.62
ROCK2 O75116 1/20 0.62
PRKD3 O94806 1/20 0.62
MAP4K4 O95819 1/20 0.62
PAK4 O96013 1/20 0.62

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
SCHEMBL3496976 0.93 FLT3 (0.55) TNK2FLT3AXLJAK2JAK3
SCHEMBL1743511 0.91 BRD4 (0.52) TNK2FLT3AXLJAK2JAK3
SCHEMBL1741267 0.89 CDK2 (0.53) TNK2FLT3AXLJAK2JAK3
SCHEMBL3495551 0.89 PRKCQ (0.55) TNK2FLT3AXLJAK2JAK3
SCHEMBL3497842 0.89 KDR (0.50) TNK2FLT3AXLJAK2JAK3
SCHEMBL3495826 0.89 BRD4 (0.51) TNK2FLT3AXLJAK2JAK3
SCHEMBL3494497 0.88 PAK1 (0.51) TNK2FLT3AXLJAK2JAK3
SCHEMBL1001745 0.87 FLT3 (0.63) TNK2FLT3AXLJAK2JAK3
SCHEMBL12952347 0.87 FLT3 (0.63) TNK2FLT3AXLJAK2JAK3
SCHEMBL3494976 0.87 PRKCQ (0.49) TNK2FLT3AXLJAK2JAK3

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 6 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
WO-2007027238-A2 JAK KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-03-08 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 TNK2 45/4885FLT3 172/4885AXL 1801/4885

“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.