SCHEMBL8073790

SCHEMBL8073790

CS(=O)(=O)c1nc2[nH]ccc2c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.56
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TYMP P19971 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ IKBKB O14920 3/20 0.36
▸ CHUK O15111 2/20 0.36
▸ JAK1 P23458 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PNP P00491 1/20 0.35
▸ PTGS1 P23219 3/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ SPR P35270 2/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33

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
SCHEMBL7851729 0.75 DYRK1A (0.62) DYRK1AADORA2AADORA1ALDH1A1HPGD
SCHEMBL311783 0.72 DYRK1A (1.00) DYRK1AADORA2AADORA1ALDH1A1TYMP
SCHEMBL15693107 0.72 DYRK1A (0.62) DYRK1AADORA2AADORA1TYMPGSK3B
SCHEMBL7014736 0.72 DYRK1A (0.62) DYRK1AADORA2AADORA1ALDH1A1HPGD
SCHEMBL28309711 0.72 DYRK1A (0.62) DYRK1AADORA2AADORA1ALDH1A1HPGD
SCHEMBL18961718 0.71 DYRK1A (0.57) DYRK1AADORA2AADORA1ALDH1A1HPGD
SCHEMBL16212529 0.71 DYRK1A (0.57) DYRK1AADORA2AADORA1TYMPGSK3B
SCHEMBL7015127 0.71 DYRK1A (0.57) DYRK1AADORA2AADORA1ALDH1A1TYMP
Hydrochloric Acid SCHEMBL25394322 0.70 DYRK1A (0.96) DYRK1AADORA2AADORA1ALDH1A1TYMP
SCHEMBL14228146 0.69 DYRK1A (0.64) DYRK1AADORA2AADORA1ALDH1A1TYMP

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 232/4885ADORA2A 86/4885ADORA1 264/4885

“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.

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