SCHEMBL4379050

SCHEMBL4379050

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCN(c5ccccc5)CC4)c3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.71
JAK3 P52333 2/20 0.63
HDAC1 Q13547 5/20 0.52
HDAC6 Q9UBN7 5/20 0.52
PLK1 P53350 1/20 0.51
MAPK8 P45983 1/20 0.50
PIK3CG P48736 1/20 0.50
GSK3B P49841 1/20 0.50
CAMKK2 Q96RR4 1/20 0.50
CCNT1 O60563 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK7 P50613 1/20 0.50
CDK9 P50750 1/20 0.50
CCNH P51946 1/20 0.50
MTOR P42345 1/20 0.50
SMG1 Q96Q15 1/20 0.50

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
SCHEMBL4379476 0.95 JAK2 (0.76) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4386036 0.94 JAK2 (0.71) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4378970 0.93 JAK2 (0.70) JAK2JAK3HDAC1HDAC6
SCHEMBL4383129 0.91 JAK2 (0.74) JAK2JAK3HDAC1HDAC6
SCHEMBL4378536 0.91 JAK2 (0.68) JAK2JAK3HDAC1HDAC6PIK3CG
SCHEMBL4383242 0.91 JAK2 (0.63) JAK2JAK3HDAC1HDAC6PIK3CG
SCHEMBL4390306 0.91 JAK2 (0.62) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4378858 0.90 JAK2 (0.64) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4379068 0.90 JAK2 (0.66) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4382424 0.90 JAK2 (0.76) JAK2JAK3HDAC1HDAC6PLK1

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 9 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

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 1/4885JAK3 3/4885HDAC1 2583/4885

“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.