SCHEMBL4378380

SCHEMBL4378380

COCCC(=O)N1CCN(c2cccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.71
HDAC6 Q9UBN7 7/20 0.57
HDAC1 Q13547 6/20 0.57
JAK3 P52333 2/20 0.54
CCNT1 O60563 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK9 P50750 1/20 0.50
LDLR P01130 1/20 0.48
KIT P10721 1/20 0.48
PCSK9 Q8NBP7 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
SCHEMBL4378427 0.91 JAK2 (0.70) JAK2HDAC6HDAC1JAK3
SCHEMBL4375224 0.89 JAK2 (0.77) JAK2HDAC6HDAC1JAK3CCNT1
SCHEMBL8236514 0.87 JAK2 (0.82) JAK2HDAC6HDAC1JAK3CCNT1
SCHEMBL4377047 0.86 JAK2 (0.72) JAK2HDAC6HDAC1JAK3CCNT1
SCHEMBL4382278 0.86 JAK2 (0.72) JAK2HDAC6HDAC1JAK3CCNT1
SCHEMBL4383500 0.86 JAK2 (0.67) JAK2HDAC6HDAC1JAK3CCNT1
SCHEMBL4379799 0.85 JAK2 (0.73) JAK2HDAC6HDAC1JAK3CCNT1
SCHEMBL4387667 0.84 JAK2 (0.67) JAK2HDAC6HDAC1JAK3LDLR
SCHEMBL4384202 0.84 JAK2 (0.69) JAK2HDAC6HDAC1JAK3CCNT1
SCHEMBL4383808 0.84 JAK2 (0.64) JAK2HDAC6HDAC1JAK3CDK2

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 1/4885HDAC6 2522/4885HDAC1 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.