SCHEMBL3566598

SCHEMBL3566598

CONS(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.50
▸ HSD17B2 P37059 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ EDNRB P24530 2/20 0.48
▸ EDNRA P25101 2/20 0.48
▸ BRD4 O60885 1/20 0.46
▸ WDR5 P61964 1/20 0.46
▸ KAT6A Q92794 2/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ TNNI3K Q59H18 1/20 0.43
▸ HTR1A P08908 2/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ CTSL P07711 3/20 0.42
▸ CTSK P43235 3/20 0.42
▸ CTSS P25774 2/20 0.42
▸ CTSC P53634 2/20 0.42
▸ GHSR Q92847 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5188198 0.80 KMT2A (0.61) EDNRA
SCHEMBL18770168 0.80 SMN1; SMN2 (0.43) PGRATMTNNI3K
SCHEMBL264637 0.79 TNNI3K (0.60) PGRHSD17B2ATMEDNRBEDNRA
SCHEMBL31689440 0.79 TNNI3K (0.60) PGRHSD17B2ATMEDNRBEDNRA
SCHEMBL6553313 0.79 PGR (0.59) PGREDNRBEDNRA
SCHEMBL12325142 0.79 F2 (0.58) —
SCHEMBL29288594 0.77 CA2 (0.55) —
SCHEMBL28431744 0.77 ATM (0.55) PGRHSD17B2ATMEDNRBEDNRA
SCHEMBL366135 0.77 CA2 (0.52) PGR
SCHEMBL1348621 0.76 ATM (0.61) ATMKAT6AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001849-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-11-26 — — EP disclosed
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 PGR 248/4885HSD17B2 3170/4885ATM 3020/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 PGR 380/4885HSD17B2 3559/4885ATM 2698/4885

“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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