SCHEMBL4383012

SCHEMBL4383012

CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5cccc(F)c5)CC4)cc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.67
JAK3 P52333 6/20 0.56
NAMPT P43490 1/20 0.53
ABL1 P00519 1/20 0.52
BCR P11274 1/20 0.52
JAK1 P23458 3/20 0.51
ACVR1 Q04771 1/20 0.51
TYK2 P29597 2/20 0.51
MTOR P42345 1/20 0.51
SMG1 Q96Q15 1/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
KCNH2 Q12809 1/20 0.51
HDAC3 O15379 1/20 0.50
NCOR1 O75376 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 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
SCHEMBL4383129 0.90 JAK2 (0.74) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4377935 0.89 JAK2 (0.65) JAK2JAK3NAMPTABL1BCR
SCHEMBL4379050 0.88 JAK2 (0.71) JAK2JAK3MTORSMG1HDAC1
SCHEMBL4385460 0.88 JAK2 (0.66) JAK2JAK3JAK1ACVR1TYK2
SCHEMBL4378049 0.88 JAK2 (0.66) JAK2JAK3JAK1ACVR1TYK2
SCHEMBL4384905 0.87 JAK2 (0.70) JAK2JAK3NAMPTJAK1ACVR1
SCHEMBL4375062 0.87 JAK2 (0.75) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4383242 0.86 JAK2 (0.63) JAK2JAK3NAMPTHDAC1HDAC6
SCHEMBL4381816 0.86 JAK2 (0.64) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4387706 0.86 JAK2 (0.68) JAK2JAK3JAK1ACVR1TYK2

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
CN-101421250-A 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as jak-2 modulators and pharmaceutical compositions containing them EXELIXIS INC (US) 2009-04-29 CN 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 1/4885JAK3 3/4885NAMPT 2930/4885

“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.