SCHEMBL4382749

SCHEMBL4382749

Cc1ccc(-c2ccnc(NC3CCN(C(=O)c4c(Cl)cccc4Cl)CC3)n2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.49
IKBKB O14920 7/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
CHUK O15111 4/20 0.43
IKBKG Q9Y6K9 4/20 0.43
JUN P05412 4/20 0.43
MAPK8 P45983 4/20 0.43
MAPK9 P45984 4/20 0.43
CDK2 P24941 2/20 0.43
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
MAPK10 P53779 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HCK P08631 1/20 0.42
BTK Q06187 1/20 0.42

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
SCHEMBL4382454 0.87 DGAT1 (0.46) DGAT1IKBKBMEN1KMT2AJAK2
SCHEMBL4377891 0.82 DGAT1 (0.51) DGAT1IKBKBMEN1KMT2AJAK2
SCHEMBL3764395 0.80 JAK2 (0.68) DGAT1IKBKBMEN1KMT2AJAK2
SCHEMBL8091840 0.72 IKBKB (0.60) IKBKBMAPK8MAPK9CDK2
SCHEMBL3470744 0.69 IKBKB (0.54) DGAT1IKBKBMEN1KMT2ACHUK
SCHEMBL4135859 0.67 TRPV1 (0.43) MEN1KMT2AJUNMAPK8MAPK9
SCHEMBL4241009 0.67 HCRTR2 (0.59) DGAT1JUNMAPK8MAPK9CDK2
SCHEMBL4241004 0.67 HCRTR2 (0.59) DGAT1JUNMAPK8MAPK9CDK2
SCHEMBL14378942 0.67 SYK (0.49) DGAT1JUNMAPK8MAPK9CDK2
SCHEMBL26457726 0.66 AURKA (0.57) JAK2

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 13 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-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-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
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
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 3230/4885IKBKB 552/4885MEN1 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.