SCHEMBL4378544

SCHEMBL4378544

O=C(Nc1cccc(Nc2nccc(-c3ccc(Cl)cc3Cl)n2)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.67
PIK3CA P42336 4/20 0.66
PIK3CB P42338 4/20 0.66
PIK3CG P48736 4/20 0.66
TYK2 P29597 5/20 0.55
ABL1 P00519 6/20 0.53
SRC P12931 5/20 0.53
BCR P11274 5/20 0.53
PRKCA P17252 4/20 0.52
PRKCD Q05655 4/20 0.52
PDGFRB P09619 3/20 0.52
PDGFRA P16234 3/20 0.52
CAMK2D Q13557 1/20 0.51
PRKD3 O94806 1/20 0.51
PRKCG P05129 1/20 0.51
PRKCB P05771 1/20 0.51
PRKCH P24723 1/20 0.51
PRKCI P41743 1/20 0.51
PRKCE Q02156 1/20 0.51
PRKCQ Q04759 1/20 0.51

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
SCHEMBL4378411 0.89 JAK2 (0.82) JAK2PIK3CAPIK3CBPIK3CGTYK2
SCHEMBL4383721 0.85 JAK2 (0.79) JAK2PIK3CGTYK2ABL1SRC
SCHEMBL13588591 0.83 JAK2 (0.72) JAK2PIK3CAPIK3CBPIK3CGTYK2
SCHEMBL4380288 0.82 JAK2 (0.78) JAK2PIK3CGTYK2ABL1SRC
SCHEMBL27612399 0.82 PIK3CA (0.74) PIK3CAPIK3CBPIK3CGABL1BCR
SCHEMBL4375081 0.81 JAK2 (1.00) JAK2TYK2ABL1SRCBCR
SCHEMBL4385159 0.78 JAK2 (0.69) JAK2TYK2ABL1SRCBCR
SCHEMBL4382638 0.78 JAK2 (0.78) JAK2TYK2ABL1SRCBCR
SCHEMBL4385243 0.77 JAK2 (0.63) JAK2PIK3CAPIK3CBPIK3CG
SCHEMBL6041153 0.77 ABL1 (0.62) JAK2ABL1SRCBCRPRKCA

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 13 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-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 1/4885PIK3CA 854/4885PIK3CB 1083/4885

“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.