SCHEMBL4376512

SCHEMBL4376512

CC(=O)Nc1cccc(-c2ccnc(Nc3cccc(C(=O)O)c3)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.72
ABL1 P00519 4/20 0.72
BCR P11274 4/20 0.72
PRKCA P17252 3/20 0.72
JAK2 O60674 4/20 0.69
MAPK8 P45983 2/20 0.65
PIK3CG P48736 2/20 0.65
GSK3B P49841 2/20 0.65
CAMKK2 Q96RR4 2/20 0.65
JAK3 P52333 1/20 0.63
SRC P12931 3/20 0.61
PDGFRB P09619 2/20 0.61
PDGFRA P16234 2/20 0.61
PRKCD Q05655 2/20 0.61
PRKD3 O94806 1/20 0.61
PRKCG P05129 1/20 0.61
PRKCB P05771 1/20 0.61
PRKCH P24723 1/20 0.61
PRKCI P41743 1/20 0.61
PRKCE Q02156 1/20 0.61

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
SCHEMBL13588457 0.91 JAK2 (0.79) PLK1ABL1BCRPRKCAJAK2
SCHEMBL4733852 0.90 PLK1 (0.84) PLK1ABL1BCRPRKCAJAK2
SCHEMBL4736493 0.86 PLK1 (0.83) PLK1ABL1BCRPRKCAJAK2
SCHEMBL5379812 0.86 ABL1 (0.77) PLK1ABL1BCRPRKCAJAK2
SCHEMBL14172776 0.84 PLK1 (0.72) PLK1ABL1BCRPRKCAJAK2
SCHEMBL4735155 0.84 PLK1 (1.00) PLK1ABL1BCRJAK2JAK3
SCHEMBL4736544 0.84 PLK1 (0.76) PLK1ABL1BCRPRKCAJAK2
SCHEMBL5466956 0.84 JAK2 (0.72) PLK1ABL1BCRPRKCAJAK2
SCHEMBL25337094 0.84 ABL1 (0.75) PLK1ABL1BCRPRKCAMAPK8
SCHEMBL31118910 0.84 ABL1 (0.75) PLK1ABL1BCRPRKCAMAPK8

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 14 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
CN-101421250-A 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as jak-2 modulators and pharmaceutical compositions containing them EXELIXIS INC (US) 2009-04-29 CN disclosed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO 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-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed
EP-1979329-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2008-10-15 EP 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
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 PLK1 902/4885ABL1 14/4885BCR 1633/4885

“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.