SCHEMBL4583186

SCHEMBL4583186

O=C(NCCCNc1nccc(-c2ccc(Cl)cc2Cl)n1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.44
PIK3CB P42338 4/20 0.44
PIK3CG P48736 4/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
JAK2 O60674 1/20 0.41
CNR1 P21554 3/20 0.41
BACE1 P56817 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TGM2 P21980 1/20 0.41
AKT3 Q9Y243 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ANPEP P15144 1/20 0.40
MAPT P10636 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
SCHEMBL13588448 0.85 PIK3CA (0.52) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL8239154 0.84 L3MBTL1 (0.46) PIK3CAPIK3CBPIK3CGHTTMEN1
SCHEMBL4380274 0.84 PIK3CA (0.53) PIK3CAPIK3CBPIK3CGHTTMEN1
SCHEMBL13588449 0.82 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGHTTMEN1
SCHEMBL4385243 0.80 JAK2 (0.63) PIK3CAPIK3CBPIK3CGHTTMEN1
SCHEMBL4387875 0.79 PIK3CA (0.46) PIK3CAPIK3CBPIK3CGHTTMEN1
SCHEMBL8230866 0.77 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL11746085 0.76 L3MBTL1 (0.56) HTTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9524592 0.73 TGM2 (0.64) HTTL3MBTL1SMN1; SMN2LMNATGM2
SCHEMBL9246788 0.72 LMNA (0.52) HTTMEN1KMT2AL3MBTL1SMN1; SMN2

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 5 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-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-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 PIK3CA 854/4885PIK3CB 1083/4885PIK3CG 847/4885

“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.