SCHEMBL4385229

SCHEMBL4385229

CN(C)CC(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)[C@H]5CCCN5)cc4)n3)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.74
JAK3 P52333 10/20 0.74
JAK1 P23458 4/20 0.74
PDGFRB P09619 2/20 0.74
FLT3 P36888 2/20 0.74
IKBKB O14920 2/20 0.74
TYK2 P29597 2/20 0.74
KIT P10721 1/20 0.74
PDGFRA P16234 1/20 0.74
FLT1 P17948 1/20 0.74
RPS6KB1 P23443 1/20 0.74
FLT4 P35916 1/20 0.74
KDR P35968 1/20 0.74
MAP3K9 P80192 1/20 0.74
PLK4 O00444 1/20 0.74
CIT O14578 1/20 0.74
GAK O14976 1/20 0.74
BUB1 O43683 1/20 0.74
ROCK2 O75116 1/20 0.74
PRKD3 O94806 1/20 0.74

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
SCHEMBL4385236 1.00 JAK2 (0.74) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4380198 0.92 JAK2 (0.71) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4382462 0.89 JAK2 (0.67) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4388810 0.89 JAK2 (0.67) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4376932 0.89 JAK2 (0.67) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4390171 0.89 JAK2 (0.74) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4390167 0.89 JAK2 (0.74) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4380665 0.89 JAK2 (0.77) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4380662 0.89 JAK2 (0.77) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4376873 0.89 JAK2 (0.81) JAK2JAK3JAK1PDGFRBFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440663-B2 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2013-05-14 US disclosed
US-8440663-B2 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2013-05-14 US disclosed
US-8440663-B2 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2013-05-14 US disclosed
US-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2009-12-03 US disclosed
US-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2009-12-03 US disclosed
US-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2009-12-03 US disclosed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 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-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885

“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.