SCHEMBL4374526

SCHEMBL4374526

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccccc4)c3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.73
JAK3 P52333 1/20 0.67
HDAC1 Q13547 5/20 0.56
HDAC6 Q9UBN7 5/20 0.56
PLK1 P53350 1/20 0.54
MAPK8 P45983 2/20 0.53
PIK3CG P48736 2/20 0.53
GSK3B P49841 2/20 0.53
CAMKK2 Q96RR4 2/20 0.53
ABL1 P00519 3/20 0.52
SRC P12931 2/20 0.52
BCR P11274 2/20 0.52
PRKD3 O94806 1/20 0.52
PRKCG P05129 1/20 0.52
PRKCB P05771 1/20 0.52
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
PRKCA P17252 1/20 0.52
PRKCH P24723 1/20 0.52
PRKCI P41743 1/20 0.52

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
SCHEMBL4380649 0.96 JAK2 (0.70) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4382694 0.94 JAK2 (0.66) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4382343 0.92 JAK2 (0.64) JAK2JAK3HDAC1HDAC6MAPK8
SCHEMBL13588608 0.92 JAK2 (0.64) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4374477 0.92 JAK2 (0.64) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4376674 0.92 JAK2 (0.64) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4388786 0.91 JAK2 (0.63) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4384156 0.91 JAK2 (0.63) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4382352 0.91 JAK2 (0.70) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4381837 0.90 JAK2 (0.62) JAK2JAK3HDAC1HDAC6PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
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 3/4885HDAC1 2583/4885

“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.