SCHEMBL4379799

SCHEMBL4379799

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(N4CCN(C(=O)CC5CCCC5)CC4)c3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.73
HDAC1 Q13547 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
JAK3 P52333 2/20 0.53
FLT3 P36888 4/20 0.49
CDK1 P06493 3/20 0.49
CCNB1 P14635 3/20 0.49
CDK2 P24941 2/20 0.49
CCNE1 P24864 1/20 0.49
CDK7 P50613 1/20 0.49
CCNH P51946 1/20 0.49
MNAT1 P51948 1/20 0.49
CCNT1 O60563 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK9 P50750 1/20 0.49
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48

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
SCHEMBL4377047 0.97 JAK2 (0.72) JAK2HDAC1HDAC6JAK3FLT3
SCHEMBL4379956 0.91 JAK2 (0.70) JAK2HDAC1HDAC6JAK3FLT3
SCHEMBL4375224 0.88 JAK2 (0.77) JAK2HDAC1HDAC6JAK3FLT3
SCHEMBL4381115 0.88 JAK2 (0.76) JAK2HDAC1HDAC6JAK3FLT3
SCHEMBL4378744 0.88 JAK2 (0.72) JAK2HDAC1HDAC6JAK3FLT3
SCHEMBL8236514 0.86 JAK2 (0.82) JAK2HDAC1HDAC6JAK3FLT3
SCHEMBL4381674 0.86 JAK2 (0.76) JAK2HDAC1HDAC6JAK3FLT3
SCHEMBL4385527 0.86 JAK2 (0.76) JAK2HDAC1HDAC6JAK3
SCHEMBL4376481 0.86 JAK2 (0.76) JAK2HDAC1HDAC6JAK3FLT3
SCHEMBL4382278 0.85 JAK2 (0.72) JAK2HDAC1HDAC6JAK3FLT3

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 10 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-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 1/4885HDAC1 2583/4885HDAC6 2522/4885

“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.