SCHEMBL13588596

SCHEMBL13588596

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4c(C)cc(C)cc4F)c3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.71
HDAC1 Q13547 6/20 0.59
HDAC6 Q9UBN7 6/20 0.59
JAK3 P52333 1/20 0.59
PLK1 P53350 1/20 0.55
ABL1 P00519 4/20 0.53
PDGFRB P09619 4/20 0.53
BCR P11274 4/20 0.53
PDGFRA P16234 4/20 0.53
SYK P43405 1/20 0.50
SRC P12931 1/20 0.49
PRKCA P17252 1/20 0.49
PRKCD Q05655 1/20 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
SCHEMBL4378189 0.91 JAK2 (0.77) JAK2HDAC1HDAC6JAK3PLK1
SCHEMBL13588395 0.91 JAK2 (0.73) JAK2HDAC1HDAC6JAK3PLK1
SCHEMBL4375557 0.89 JAK2 (0.79) JAK2HDAC1HDAC6JAK3PLK1
SCHEMBL4385977 0.88 JAK2 (0.80) JAK2HDAC1HDAC6JAK3PLK1
SCHEMBL4377650 0.87 JAK2 (0.79) JAK2HDAC1HDAC6JAK3PLK1
SCHEMBL4375131 0.85 JAK2 (0.72) JAK2HDAC1HDAC6JAK3PLK1
SCHEMBL4382009 0.83 JAK2 (0.81) JAK2HDAC1HDAC6JAK3PLK1
SCHEMBL4385962 0.83 JAK2 (0.75) JAK2HDAC1HDAC6JAK3PLK1
SCHEMBL4375081 0.83 JAK2 (1.00) JAK2HDAC1HDAC6JAK3PLK1
SCHEMBL4377958 0.82 JAK2 (0.80) JAK2HDAC1HDAC6JAK3PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885HDAC1 2583/4885HDAC6 2522/4885

“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.