SCHEMBL4385243

SCHEMBL4385243

O=C(NCCCNc1nccc(-c2ccc(Cl)cc2Cl)n1)c1c(Cl)cccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.63
AKT3 Q9Y243 6/20 0.49
PIK3CA P42336 4/20 0.48
PIK3CB P42338 4/20 0.48
PIK3CG P48736 4/20 0.48
ALPL P05186 3/20 0.45
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
CDK5 Q00535 1/20 0.42
PAX8 Q06710 1/20 0.42
CDK5R1 Q15078 1/20 0.42
ALPG P10696 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MEN1 O00255 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
SCHEMBL4380274 0.88 PIK3CA (0.53) JAK2AKT3PIK3CAPIK3CBPIK3CG
SCHEMBL13588448 0.83 PIK3CA (0.52) JAK2AKT3PIK3CAPIK3CBPIK3CG
SCHEMBL8230866 0.81 PIK3CA (0.47) JAK2AKT3PIK3CAPIK3CBPIK3CG
SCHEMBL8239154 0.81 L3MBTL1 (0.46) JAK2AKT3PIK3CAPIK3CBPIK3CG
SCHEMBL4380086 0.80 JAK2 (0.75) JAK2AKT3PIK3CAPIK3CG
SCHEMBL4381666 0.80 JAK2 (0.75) JAK2AKT3
SCHEMBL4375319 0.80 JAK2 (0.69) JAK2HDAC8
SCHEMBL13588449 0.80 PIK3CA (0.47) JAK2AKT3PIK3CAPIK3CBPIK3CG
SCHEMBL4583186 0.80 PIK3CA (0.44) JAK2AKT3PIK3CAPIK3CBPIK3CG
SCHEMBL4380332 0.79 JAK2 (0.67) JAK2AKT3MAPK1

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-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 JAK2 1/4885AKT3 1445/4885PIK3CA 854/4885

“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.