SCHEMBL4377250

SCHEMBL4377250

CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(S(=O)(=O)c5cccc6cccnc56)CC4)cc3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.65
IKBKB O14920 1/20 0.58
CHUK O15111 1/20 0.58
JAK3 P52333 7/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
ALOX15 P16050 1/20 0.54
HDAC1 Q13547 2/20 0.50
JAK1 P23458 2/20 0.50
HSD17B10 Q99714 1/20 0.50
FLT3 P36888 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TYK2 P29597 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
SCHEMBL4383460 0.89 JAK2 (0.66) JAK2IKBKBCHUKJAK3HDAC1
SCHEMBL4381179 0.88 JAK2 (0.68) JAK2IKBKBCHUKJAK3HDAC1
SCHEMBL4377243 0.88 JAK2 (0.68) JAK2IKBKBCHUKJAK3HDAC1
SCHEMBL4375254 0.87 JAK2 (0.67) JAK2IKBKBCHUKJAK3HDAC1
SCHEMBL4381454 0.85 JAK2 (0.72) JAK2IKBKBCHUKJAK3JAK1
SCHEMBL4378022 0.84 JAK2 (0.78) JAK2IKBKBCHUKJAK3HDAC1
SCHEMBL4376860 0.83 IKBKB (0.72) JAK2IKBKBCHUKJAK3
SCHEMBL4379705 0.83 JAK2 (0.66) JAK2IKBKBCHUKJAK3JAK1
SCHEMBL4383599 0.83 JAK2 (0.66) JAK2IKBKBCHUKJAK3HDAC1
SCHEMBL13588586 0.82 IKBKB (0.73) JAK2IKBKBCHUKJAK3ALDH1A1

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 9 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

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 1/4885IKBKB 552/4885CHUK 117/4885

“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.