SCHEMBL4382298

SCHEMBL4382298

CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)COc5ccc(F)cc5)CC4)cc3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.66
KCNH2 Q12809 1/20 0.54
HDAC6 Q9UBN7 5/20 0.53
JAK3 P52333 7/20 0.52
IKBKB O14920 1/20 0.52
HDAC1 Q13547 4/20 0.52
JAK1 P23458 3/20 0.51
MET P08581 1/20 0.50
TYK2 P29597 1/20 0.50

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
SCHEMBL4387667 0.91 JAK2 (0.67) JAK2HDAC6JAK3IKBKBHDAC1
SCHEMBL4383183 0.85 JAK2 (0.57) JAK2HDAC6JAK3IKBKBHDAC1
SCHEMBL4381128 0.84 JAK2 (0.67) JAK2HDAC6JAK3HDAC1JAK1
SCHEMBL4380243 0.83 JAK2 (0.83) JAK2JAK3JAK1
SCHEMBL4379827 0.83 JAK2 (0.70) JAK2KCNH2HDAC6JAK3HDAC1
SCHEMBL4378427 0.83 JAK2 (0.70) JAK2HDAC6JAK3HDAC1JAK1
SCHEMBL4383117 0.83 JAK2 (0.73) JAK2HDAC6JAK3IKBKBHDAC1
SCHEMBL4381835 0.83 JAK2 (0.73) JAK2HDAC6JAK3IKBKBHDAC1
SCHEMBL4381816 0.82 JAK2 (0.64) JAK2KCNH2HDAC6JAK3IKBKB
SCHEMBL4378744 0.82 JAK2 (0.72) JAK2HDAC6JAK3IKBKBHDAC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885KCNH2 2475/4885HDAC6 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.