SCHEMBL4377891

SCHEMBL4377891

O=C(c1c(Cl)cccc1Cl)N1CCC(Nc2nccc(-c3cccnc3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.51
HDAC8 Q9BY41 6/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
IKBKB O14920 3/20 0.47
ABL1 P00519 5/20 0.47
BCR P11274 4/20 0.47
SRC P12931 2/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
PRKCA P17252 3/20 0.46
PRKCD Q05655 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ROCK2 O75116 1/20 0.45
EGFR P00533 2/20 0.43

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
SCHEMBL27739764 0.85 HDAC8 (0.54) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL3764395 0.83 JAK2 (0.68) DGAT1IKBKBJAK2JAK3MEN1
SCHEMBL4382749 0.82 DGAT1 (0.49) DGAT1IKBKBJAK2JAK3MEN1
SCHEMBL29539927 0.79 IKBKB (0.67) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL4382454 0.79 DGAT1 (0.46) DGAT1IKBKBJAK2JAK3MEN1
SCHEMBL27739765 0.77 ABL1 (0.53) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL29540237 0.76 ABL1 (0.52) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL29540438 0.75 IKBKB (0.71) HDAC8HDAC6HDAC1IKBKBABL1
SCHEMBL18074087 0.74 MKNK1 (0.45) ABL1BCRJUNMAPK8MAPK9
SCHEMBL29540283 0.74 IKBKB (0.65) HDAC8HDAC6HDAC1HDAC7HDAC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1979329-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2008-10-15 EP 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 DGAT1 3230/4885HDAC8 2692/4885HDAC6 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.