SCHEMBL4374722

SCHEMBL4374722

CN(C)CC(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)C5CC5)cc4)n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.61
JAK2 O60674 18/20 0.59
HDAC1 Q13547 8/20 0.59
JAK3 P52333 7/20 0.59
JAK1 P23458 3/20 0.56
TYK2 P29597 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC3 O15379 1/20 0.56
NCOR1 O75376 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
PDGFRB P09619 2/20 0.55
FLT3 P36888 2/20 0.55
IKBKB O14920 1/20 0.55
KIT P10721 1/20 0.55
PDGFRA P16234 1/20 0.55
FLT1 P17948 1/20 0.55
RPS6KB1 P23443 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55

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
SCHEMBL4380001 0.91 JAK2 (0.60) CDK2JAK2HDAC1JAK3JAK1
SCHEMBL4388668 0.90 CDK2 (0.64) CDK2JAK2HDAC1JAK3JAK1
SCHEMBL4381835 0.90 JAK2 (0.73) CDK2JAK2HDAC1JAK3JAK1
SCHEMBL4385229 0.88 JAK2 (0.74) CDK2JAK2HDAC1JAK3JAK1
SCHEMBL4385650 0.88 JAK2 (0.58) CDK2JAK2HDAC1JAK3JAK1
SCHEMBL4376981 0.88 JAK2 (0.58) CDK2JAK2HDAC1JAK3JAK1
SCHEMBL4385236 0.88 JAK2 (0.74) CDK2JAK2HDAC1JAK3JAK1
SCHEMBL4376975 0.88 JAK2 (0.58) CDK2JAK2HDAC1JAK3JAK1
SCHEMBL4380285 0.87 JAK2 (0.59) JAK2HDAC1JAK3JAK1TYK2
SCHEMBL4381880 0.87 JAK2 (0.65) JAK2HDAC1JAK3JAK1TYK2

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 CDK2 15/4885JAK2 1/4885HDAC1 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.