SCHEMBL4378536

SCHEMBL4378536

COc1cccc(N2CCN(C(=O)c3cccc(Nc4nccc(-c5ccc(NC(C)=O)cc5)n4)c3)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.68
PIK3CG P48736 3/20 0.53
PIK3CA P42336 2/20 0.53
PIK3CB P42338 2/20 0.53
JAK3 P52333 1/20 0.53
ALDH1A1 P00352 1/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
SCN9A Q15858 1/20 0.52
ABL1 P00519 1/20 0.51
BCR P11274 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
SCHEMBL4377956 0.98 JAK2 (0.69) JAK2PIK3CGPIK3CAPIK3CBJAK3
SCHEMBL4383242 0.94 JAK2 (0.63) JAK2PIK3CGPIK3CAPIK3CBJAK3
SCHEMBL4377935 0.93 JAK2 (0.65) JAK2JAK3ALDH1A1ABL1BCR
SCHEMBL4379050 0.91 JAK2 (0.71) JAK2PIK3CGJAK3HDAC1HDAC6
SCHEMBL4378970 0.90 JAK2 (0.70) JAK2JAK3HDAC1HDAC6SCN9A
SCHEMBL4379476 0.89 JAK2 (0.76) JAK2PIK3CGJAK3HDAC1HDAC6
SCHEMBL4382424 0.88 JAK2 (0.76) JAK2JAK3HDAC1HDAC6ABL1
SCHEMBL4377012 0.87 JAK2 (0.72) JAK2JAK3ALDH1A1HDAC1HDAC6
SCHEMBL4378858 0.87 JAK2 (0.64) JAK2JAK3HDAC1HDAC6
SCHEMBL4380225 0.87 JAK2 (0.58) JAK2JAK3HDAC1HDAC6

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 11 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

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 1/4885PIK3CG 847/4885PIK3CA 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.