SCHEMBL4380086

SCHEMBL4380086

O=C(NCCCNc1nccc(-c2ccc(F)cc2)n1)c1c(Cl)cccc1Cl

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.75
POLB P06746 1/20 0.46
JAK3 P52333 1/20 0.44
CDC7 O00311 1/20 0.44
CDK19 Q9BWU1 1/20 0.44
AKT3 Q9Y243 4/20 0.44
BRAF P15056 4/20 0.43
RAF1 P04049 3/20 0.43
DGAT1 O75907 2/20 0.43
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
DYRK1B Q9Y463 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL4381666 0.90 JAK2 (0.75) JAK2POLBJAK3CDC7CDK19
SCHEMBL4374519 0.87 JAK2 (0.75) JAK2POLBJAK3CDC7CDK19
SCHEMBL4385023 0.86 JAK2 (1.00) JAK2POLBJAK3
SCHEMBL8230461 0.86 JAK2 (0.73) JAK2POLBJAK3CDC7CDK19
SCHEMBL4375319 0.85 JAK2 (0.69) JAK2
SCHEMBL4454789 0.84 JAK2 (0.71) JAK2JAK3AKT3DGAT1DYRK1B
SCHEMBL4381813 0.84 JAK2 (0.71) JAK2JAK3AKT3BRAFDGAT1
SCHEMBL4383774 0.84 JAK2 (0.78) JAK2POLBJAK3DGAT1
SCHEMBL4380093 0.82 JAK2 (0.68) JAK2JAK3PIK3CAPIK3CGDYRK1B
SCHEMBL4383184 0.82 JAK2 (0.76) JAK2POLBJAK3LMNA

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 8 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-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 1/4885POLB 1933/4885JAK3 3/4885

“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.