SCHEMBL4375286

SCHEMBL4375286

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4cc(Cl)ccc4Cl)c3)n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.82
JAK3 P52333 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HDAC1 Q13547 4/20 0.60
HDAC6 Q9UBN7 4/20 0.60
PLK1 P53350 1/20 0.57
CAMK2D Q13557 1/20 0.56
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
ABL1 P00519 3/20 0.53
BCR P11274 3/20 0.53
SRC P12931 2/20 0.53
EGFR P00533 1/20 0.52
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
PRKCA P17252 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
SCHEMBL4383398 0.94 JAK2 (0.84) JAK2JAK3SMN1; SMN2HDAC1HDAC6
SCHEMBL4379888 0.90 JAK2 (1.00) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4375324 0.89 JAK2 (0.89) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4375081 0.87 JAK2 (1.00) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL13588604 0.85 JAK2 (0.80) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4383563 0.85 JAK2 (0.82) JAK2JAK3SMN1; SMN2HDAC1HDAC6
SCHEMBL4382009 0.84 JAK2 (0.81) JAK2JAK3SMN1; SMN2HDAC1HDAC6
SCHEMBL4375222 0.84 JAK2 (0.81) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4385962 0.84 JAK2 (0.75) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4378752 0.83 JAK2 (1.00) JAK2JAK3HDAC1HDAC6PLK1

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 10 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
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-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 1/4885JAK3 3/4885SMN1; SMN2 4376/4885

“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.