SCHEMBL4382638

SCHEMBL4382638

O=C(Nc1cccc(Nc2nccc(-c3ccc(NC(=O)C4CC4)cc3)n2)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.78
ABL1 P00519 6/20 0.62
SRC P12931 6/20 0.62
BCR P11274 5/20 0.62
PDGFRB P09619 4/20 0.62
PDGFRA P16234 4/20 0.62
TYK2 P29597 5/20 0.61
JAK1 P23458 2/20 0.61
CDK9 P50750 1/20 0.61
JAK3 P52333 1/20 0.61
IKBKB O14920 1/20 0.54
CHUK O15111 1/20 0.54
AURKA O14965 2/20 0.52
LCK P06239 1/20 0.52
IGF1R P08069 1/20 0.52
EIF2AK2 P19525 1/20 0.52
SYK P43405 1/20 0.52
BMX P51813 1/20 0.52
PRKCA P17252 3/20 0.52
PRKCD Q05655 3/20 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
SCHEMBL13588582 0.94 JAK2 (0.69) JAK2ABL1SRCBCRPDGFRB
SCHEMBL4375081 0.87 JAK2 (1.00) JAK2ABL1SRCBCRPDGFRB
SCHEMBL4383721 0.86 JAK2 (0.79) JAK2ABL1SRCBCRPDGFRB
SCHEMBL4380288 0.85 JAK2 (0.78) JAK2ABL1SRCBCRPDGFRB
SCHEMBL4378751 0.81 JAK2 (0.88) JAK2JAK3IKBKBCHUKAURKA
SCHEMBL4386948 0.80 JAK2 (0.64) JAK2ABL1SRCBCRPDGFRB
SCHEMBL4383774 0.80 JAK2 (0.78) JAK2ABL1SRCBCRPDGFRB
SCHEMBL4385159 0.79 JAK2 (0.69) JAK2ABL1SRCBCRPDGFRB
SCHEMBL4379888 0.79 JAK2 (1.00) JAK2ABL1SRCBCRPDGFRB
SCHEMBL4378544 0.78 JAK2 (0.67) JAK2ABL1SRCBCRPDGFRB

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 12 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
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
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
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 1/4885ABL1 14/4885SRC 225/4885

“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.