SCHEMBL4382454

SCHEMBL4382454

Cc1csc(-c2ccnc(NC3CCN(C(=O)c4c(Cl)cccc4Cl)CC3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.46
SLC6A7 Q99884 1/20 0.43
IKBKB O14920 5/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CHUK O15111 2/20 0.41
IKBKG Q9Y6K9 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
JUN P05412 4/20 0.41
MAPK8 P45983 4/20 0.41
MAPK9 P45984 4/20 0.41
CDK2 P24941 2/20 0.41
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
MAPK10 P53779 2/20 0.40
SYK P43405 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4382749 0.87 DGAT1 (0.49) DGAT1SLC6A7IKBKBJAK2JAK3
SCHEMBL4377891 0.79 DGAT1 (0.51) DGAT1IKBKBJAK2JAK3MEN1
SCHEMBL3764395 0.78 JAK2 (0.68) DGAT1IKBKBJAK2JAK3MEN1
SCHEMBL12753480 0.69 HSD11B1 (0.57) SLC6A7KDM4ESMN1; SMN2TDP1
SCHEMBL3470744 0.67 IKBKB (0.54) DGAT1IKBKBMEN1KMT2ACHUK
SCHEMBL3647354 0.66 CYP11B2 (0.58) DGAT1IKBKBJUNMAPK8MAPK9
SCHEMBL26457726 0.66 AURKA (0.57) JAK2
SCHEMBL1032457 0.66 NOS3 (0.55) IKBKBMEN1KMT2ACYP2C9JUN
SCHEMBL4135859 0.65 TRPV1 (0.43) MEN1KMT2AJUNMAPK8MAPK9
SCHEMBL3652017 0.65 HDAC8 (0.55) IKBKBJUNMAPK8MAPK9CDK2

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 3230/4885SLC6A7 2946/4885IKBKB 552/4885

“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.