SCHEMBL4376957

SCHEMBL4376957

CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)NCc5ccccc5)CC4)cc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.68
JAK3 P52333 7/20 0.62
DGAT1 O75907 1/20 0.60
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
JAK1 P23458 3/20 0.52
FLT3 P36888 4/20 0.52
TYK2 P29597 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
SCHEMBL4380253 0.89 JAK2 (0.75) JAK2JAK3DGAT1HDAC1HDAC6
SCHEMBL4377199 0.89 JAK2 (0.74) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4379821 0.87 JAK2 (0.84) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4385536 0.86 JAK2 (0.73) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4383129 0.85 JAK2 (0.74) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4380243 0.85 JAK2 (0.83) JAK2JAK3JAK1FLT3
SCHEMBL4374825 0.84 JAK2 (0.70) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4375248 0.83 JAK2 (0.58) JAK2JAK3DGAT1HDAC1HDAC6
SCHEMBL4376654 0.83 JAK2 (0.70) JAK2JAK3JAK1TYK2
SCHEMBL4386163 0.82 JAK2 (0.67) JAK2JAK3HDAC1HDAC6JAK1

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 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 1/4885JAK3 3/4885DGAT1 3230/4885

“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.