SCHEMBL4378524

SCHEMBL4378524

CCNC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)NCC)CC4)cc3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.63
HDAC1 Q13547 4/20 0.57
HDAC6 Q9UBN7 3/20 0.57
JAK3 P52333 13/20 0.56
JAK1 P23458 6/20 0.56
TYK2 P29597 4/20 0.55
PLK4 O00444 2/20 0.54
CIT O14578 2/20 0.54
GAK O14976 2/20 0.54
ROCK2 O75116 2/20 0.54
PRKD3 O94806 2/20 0.54
CSNK2A2 P19784 2/20 0.54
MARK3 P27448 2/20 0.54
MAPK8 P45983 2/20 0.54
NEK3 P51956 2/20 0.54
IKBKE Q14164 2/20 0.54
AAK1 Q2M2I8 2/20 0.54
ULK3 Q6PHR2 2/20 0.54
Q6ZSR9 Q6ZSR9 2/20 0.54
MARK2 Q7KZI7 2/20 0.54

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
SCHEMBL4377199 0.93 JAK2 (0.74) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4384030 0.90 JAK2 (0.60) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4381136 0.90 JAK2 (0.64) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4384366 0.90 JAK2 (0.60) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4385541 0.90 JAK2 (0.64) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4382983 0.89 JAK2 (0.62) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4382726 0.89 JAK2 (0.77) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4390275 0.89 JAK2 (0.73) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4382692 0.89 JAK2 (0.63) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4377370 0.89 JAK2 (0.58) JAK2HDAC1HDAC6JAK3JAK1

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 16 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 claimed
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 claimed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO claimed
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 claimed
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 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 1/4885HDAC1 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.