SCHEMBL3524992

SCHEMBL3524992

CS(=O)(=O)c1ccc(Cn2cnc(OCc3ccccc3)cc2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.47
CYP11B2 P19099 1/20 0.44
PKM P14618 1/20 0.42
PTGER1 P34995 3/20 0.41
HTT P42858 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.40
P2RX7 Q99572 1/20 0.40
NPC1 O15118 1/20 0.40
NR1I2 O75469 1/20 0.39
GHSR Q92847 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
SCHEMBL3521393 0.88 MAPK14 (0.58) MAPK14CYP11B2PKMHTTMEN1
SCHEMBL3524513 0.85 HTT (0.54) MAPK14CYP11B2PKMHTTMEN1
SCHEMBL3524201 0.85 HTT (0.54) MAPK14CYP11B2PKMHTTMEN1
SCHEMBL3522830 0.84 MAPK14 (0.52) MAPK14CYP11B2PKMHTTMEN1
SCHEMBL3522944 0.83 SMN1; SMN2 (0.52) MAPK14CYP11B2PKMALDH1A1HPGD
SCHEMBL3522628 0.83 MAPK14 (0.51) MAPK14CYP11B2PKMHTTMEN1
SCHEMBL3520539 0.82 MAPK14 (0.48) MAPK14PKMHTTMEN1ALDH1A1
SCHEMBL3521499 0.82 MAPK14 (0.48) MAPK14PKMHTTMEN1ALDH1A1
SCHEMBL3527521 0.80 MAPK14 (0.44) MAPK14CYP11B2PKMPDE4APDE4B
SCHEMBL3522538 0.80 MAPK14 (0.48) MAPK14PKMMEN1ALDH1A1KMT2A

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-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
EP-1753731-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS Pharmacia Corporation (US) 2007-02-21 EP disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 US disclosed
WO-2004087677-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS PHARMACIA CORPORATION (US) 2004-10-14 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 (3 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885CYP11B2 513/4885PKM 994/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885CYP11B2 300/4885PKM 1090/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885CYP11B2 513/4885PKM 994/4885

“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.