SCHEMBL4380274

SCHEMBL4380274

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.53
PIK3CB P42338 4/20 0.53
PIK3CG P48736 4/20 0.53
JAK2 O60674 1/20 0.48
AKT3 Q9Y243 3/20 0.46
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALPL P05186 3/20 0.44
HDAC8 Q9BY41 1/20 0.43
EIF2AK2 P19525 1/20 0.42
KMO O15229 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
CDK5 Q00535 1/20 0.41

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
SCHEMBL4385243 0.88 JAK2 (0.63) PIK3CAPIK3CBPIK3CGJAK2AKT3
SCHEMBL13588448 0.88 PIK3CA (0.52) PIK3CAPIK3CBPIK3CGJAK2AKT3
SCHEMBL8230866 0.85 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGJAK2AKT3
SCHEMBL8239154 0.85 L3MBTL1 (0.46) PIK3CAPIK3CBPIK3CGJAK2AKT3
SCHEMBL13588449 0.84 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGJAK2AKT3
SCHEMBL4583186 0.84 PIK3CA (0.44) PIK3CAPIK3CBPIK3CGJAK2AKT3
SCHEMBL4387875 0.79 PIK3CA (0.46) PIK3CAPIK3CBPIK3CGAKT3KMT2A
SCHEMBL5093415 0.74 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGKMT2AMAPT
SCHEMBL4564816 0.74 PIK3CG (0.54) PIK3CAPIK3CBPIK3CGAKT3KMT2A
SCHEMBL5094703 0.71 MAP4K4 (0.44) PIK3CAPIK3CBPIK3CGJAK2AKT3

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
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-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
EP-1979329-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2008-10-15 EP disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 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.