SCHEMBL8083869

SCHEMBL8083869

CCCNCc1ccc(-c2ccnc(Cl)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.45
CLK4 Q9HAZ1 5/20 0.45
DYRK1B Q9Y463 3/20 0.45
CLK1 P49759 2/20 0.45
CLK2 P49760 2/20 0.45
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
AKT1 P31749 1/20 0.36
PARP1 P09874 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL12921659 0.75 STK17B (0.50) L3MBTL1POLB
SCHEMBL12921672 0.75 MEN1 (0.41) DYRK1ACLK4DYRK1BCLK1CLK2
SCHEMBL12921675 0.73 ADRB2 (0.47) DYRK1ACLK4DYRK1BCLK1CLK2
SCHEMBL978578 0.73 MEN1 (0.44) DYRK1ACLK4DYRK1BCLK1CLK2
SCHEMBL14420382 0.73 SMN1; SMN2 (0.68) HRH4HRH3SMN1; SMN2PARP1KDM4E
SCHEMBL15577810 0.73 DYRK1A (0.46) DYRK1ACLK4DYRK1BCLK1CLK2
SCHEMBL3400986 0.73 XDH (0.43) DYRK1ACLK4DYRK1BCLK1CLK2
SCHEMBL3754367 0.73 DYRK1A (0.40) DYRK1ACLK4DYRK1BCLK1CLK2
SCHEMBL1467440 0.72 DYRK1A (0.44) DYRK1ACLK4DYRK1BCLK1CD274
SCHEMBL25002934 0.72 CYP2D6 (0.59) SMN1; SMN2KDM4EL3MBTL1CYP1A2CYP2D6

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 7 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-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
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 DYRK1A 232/4885CLK4 1358/4885DYRK1B 179/4885

“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.