SCHEMBL4380255

SCHEMBL4380255

CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(-c4ccc(NC(=O)N5CCNCC5)cc4)cc3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.71
CHUK O15111 8/20 0.71
JAK2 O60674 9/20 0.64
JAK3 P52333 1/20 0.64
HDAC6 Q9UBN7 2/20 0.54
HDAC1 Q13547 1/20 0.54
KCNH2 Q12809 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
SCHEMBL4382381 0.87 JAK2 (0.81) IKBKBCHUKJAK2JAK3KCNH2
SCHEMBL4378143 0.83 JAK2 (0.90) IKBKBCHUKJAK2JAK3HDAC6
SCHEMBL4380253 0.82 JAK2 (0.75) IKBKBCHUKJAK2JAK3HDAC6
SCHEMBL4376724 0.81 JAK2 (0.82) IKBKBCHUKJAK2JAK3HDAC6
SCHEMBL4380256 0.80 JAK2 (0.65) IKBKBCHUKJAK2JAK3HDAC6
SCHEMBL4379462 0.80 JAK2 (0.68) IKBKBCHUKJAK2JAK3HDAC6
SCHEMBL4377199 0.80 JAK2 (0.74) IKBKBCHUKJAK2JAK3HDAC6
SCHEMBL4376882 0.79 JAK2 (0.98) IKBKBCHUKJAK2JAK3HDAC6
SCHEMBL13588599 0.79 JAK2 (0.81) IKBKBCHUKJAK2JAK3HDAC6
SCHEMBL4383820 0.79 JAK2 (1.00) IKBKBJAK2JAK3HDAC6HDAC1

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 IKBKB 552/4885CHUK 117/4885JAK2 1/4885

“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.