SCHEMBL4385148

SCHEMBL4385148

CC(=O)Nc1ccc(-c2ccnc(Cc3ccc(N4CCN(C(=O)C(C)(C)CN(C)C)CC4)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.52
DGAT1 O75907 5/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
PRNP P04156 1/20 0.41
POLB P06746 1/20 0.41
WNT3A P56704 1/20 0.41
PIK3CA P42336 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
JAK3 P52333 4/20 0.38
JAK1 P23458 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4462223 0.87 JAK2 (0.68) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4374518 0.80 JAK2 (0.52) JAK2DGAT1MEN1KMT2AMAPT
SCHEMBL4377305 0.75 JAK2 (0.77) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4383067 0.73 JAK2 (0.68) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4377378 0.73 JAK2 (0.53) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4377388 0.73 JAK2 (0.53) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4381835 0.72 JAK2 (0.73) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4378771 0.72 JAK2 (0.78) JAK2DGAT1MEN1KMT2AKDM4E
SCHEMBL4377681 0.71 JAK2 (0.59) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4380243 0.70 JAK2 (0.83) JAK2MEN1KMT2AMAPTJAK3

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 3 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-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

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 1/4885DGAT1 3230/4885MEN1 4690/4885

“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.