SCHEMBL4387313

SCHEMBL4387313

CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(CC(=O)O)cc3)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.76
JAK3 P52333 1/20 0.76
HDAC6 Q9UBN7 6/20 0.62
HDAC1 Q13547 5/20 0.62
IKBKB O14920 4/20 0.58
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
PRNP P04156 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
CAMK2D Q13557 1/20 0.57
PLK1 P53350 1/20 0.56
CHUK O15111 1/20 0.56

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
SCHEMBL4378143 0.89 JAK2 (0.90) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL1667473 0.88 CAMK2D (0.60) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL4383820 0.87 JAK2 (1.00) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL3753951 0.87 IKBKB (0.67) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL8236581 0.86 JAK2 (0.65) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL13588599 0.84 JAK2 (0.81) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL4384858 0.83 JAK2 (0.79) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL4388808 0.83 JAK2 (0.79) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL4376505 0.83 JAK2 (0.79) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL7470447 0.83 JAK2 (0.79) JAK2JAK3HDAC6HDAC1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 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-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 1/4885JAK3 3/4885HDAC6 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.