SCHEMBL4384030

SCHEMBL4384030

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.60
HDAC1 Q13547 4/20 0.55
HDAC6 Q9UBN7 3/20 0.55
JAK3 P52333 14/20 0.54
JAK1 P23458 5/20 0.54
TYK2 P29597 3/20 0.53
PRKD3 O94806 2/20 0.51
MAPK8 P45983 2/20 0.51
MAPK9 P45984 2/20 0.51
CDK9 P50750 2/20 0.51
ACVR1 Q04771 2/20 0.51
ROCK1 Q13464 2/20 0.51
IKBKE Q14164 2/20 0.51
TBK1 Q9UHD2 2/20 0.51
BMPR1B O00238 1/20 0.51
PLK4 O00444 1/20 0.51
CIT O14578 1/20 0.51
GAK O14976 1/20 0.51
OPA1 O60313 1/20 0.51
ROCK2 O75116 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
SCHEMBL4378524 0.90 JAK2 (0.63) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4377305 0.88 JAK2 (0.77) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4377980 0.88 JAK2 (0.64) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4384366 0.88 JAK2 (0.60) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4385541 0.87 JAK2 (0.64) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4382726 0.86 JAK2 (0.77) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4382692 0.86 JAK2 (0.63) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4382273 0.86 CDK2 (0.61) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4378722 0.86 JAK2 (0.63) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4378725 0.86 JAK2 (0.63) 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 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
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
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.