SCHEMBL3570441

SCHEMBL3570441

CCC(=O)NS(=O)(=O)c1cccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)ccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDHB P21912 1/20 0.43
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
ALKBH2 Q6NS38 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
ALKBH3 Q96Q83 1/20 0.40
FTO Q9C0B1 1/20 0.40
S1PR4 O95977 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
S1PR1 P21453 2/20 0.40
STAT3 P40763 2/20 0.40
STAT1 P42224 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MITF O75030 1/20 0.40
HTT P42858 1/20 0.40
LARS1 Q9P2J5 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
TP53 P04637 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
SCHEMBL2403482 0.91 SDHB (0.43) SDHBLARS1
SCHEMBL3565857 0.86 SYK (0.47) SDHBS1PR4LMNAHPGDS1PR1
SCHEMBL3560594 0.85 CYP2C19 (0.43) SDHB
SCHEMBL3559647 0.84 KIF18A (0.42) SDHBS1PR4LMNAHPGDS1PR1
SCHEMBL3556919 0.84 KIF18A (0.45) SDHBS1PR4LMNAHPGDS1PR1
SCHEMBL3569559 0.83 P2RY14 (0.39) ALKBH2ALKBH5ALKBH3FTOADORA3
SCHEMBL3562889 0.83 SDHB (0.48) SDHBS1PR4LMNAHPGDS1PR1
Hydrochloric Acid SCHEMBL3567273 0.82 SYK (0.43) SDHB
SCHEMBL3559451 0.82 AKR1C3 (0.45) LMNASMN1; SMN2HTTTP53KMT2A
SCHEMBL3566100 0.81 NPY5R (0.49) LMNASMN1; SMN2HTTTP53KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468727-A1 Pyridine and pyrimidine derivatives as MGLUR2 antagonists F. Hoffmann-La Roche AG (CH) 2012-06-27 EP claimed
US-7642264-B2 Phenyl-substituted pyrimidine derivatives as mGluR antagonists HOFFMAN-LA ROCHE INC. (US) 2010-01-05 US claimed
EP-2001849-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-12-17 EP claimed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 US claimed
WO-2007110337-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO claimed
EP-2468727-A1 Pyridine and pyrimidine derivatives as MGLUR2 antagonists F. Hoffmann-La Roche AG (CH) 2012-06-27 EP disclosed
US-8183262-B2 Central nervous system disorders; metabotropic glutamate receptors (mGluR); 2-(4-Pyridin-3-yl-imidazol-1-yl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-7642264-B2 Phenyl-substituted pyrimidine derivatives as mGluR antagonists HOFFMAN-LA ROCHE INC. (US) 2010-01-05 US disclosed
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GATTI MCARTHUR SILVIA 2009-12-24 US disclosed
EP-2001849-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-12-17 EP disclosed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 US disclosed
WO-2007110337-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 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 (2 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-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists P2RX2, P2RY2, P2RX1 SDHB 1862/4885BCL2L1 4568/4885MCL1 3162/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 SDHB 2101/4885BCL2L1 4214/4885MCL1 4340/4885

“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.