SCHEMBL13588459

SCHEMBL13588459

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(OCc4ccccc4)c3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.70
JAK3 P52333 1/20 0.70
HDAC6 Q9UBN7 6/20 0.68
HDAC1 Q13547 5/20 0.68
SYK P43405 1/20 0.60
IKBKB O14920 1/20 0.59
PLK1 P53350 1/20 0.58
PIK3CG P48736 3/20 0.55
PIK3CA P42336 2/20 0.55
PIK3CB P42338 2/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL4390549 0.90 JAK2 (0.76) JAK2JAK3HDAC6HDAC1SYK
SCHEMBL4380820 0.86 PIK3CG (0.75) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL8084884 0.85 JAK2 (0.77) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL4376497 0.84 JAK2 (0.72) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL4378762 0.84 JAK2 (0.72) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL4383820 0.83 JAK2 (1.00) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL8084736 0.82 JAK2 (0.76) JAK2JAK3HDAC6HDAC1SYK
SCHEMBL4382442 0.82 JAK2 (0.65) JAK2JAK3HDAC6HDAC1SYK
SCHEMBL12801581 0.81 JAK2 (0.60) JAK2JAK3HDAC6HDAC1SYK
SCHEMBL4379852 0.81 JAK2 (0.82) 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 2 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-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.