SCHEMBL3565084

SCHEMBL3565084

Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(NS(=O)(=O)N(C)C)c3)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.53
NTRK1 P04629 1/20 0.52
FLT3 P36888 1/20 0.52
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ERAP1 Q9NZ08 1/20 0.40
SYK P43405 1/20 0.40
PFKFB3 Q16875 1/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
BRD4 O60885 1/20 0.37
HTT P42858 2/20 0.37
HSD11B1 P28845 1/20 0.36
PRMT6 Q96LA8 2/20 0.36
GAK O14976 1/20 0.35
STK16 O75716 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
CYP2D6 P10635 1/20 0.35
PSEN1 P49768 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
SCHEMBL3562765 0.89 KIF11 (0.65) KIF11MEN1KMT2AERAP1SYK
SCHEMBL3566286 0.88 KIF11 (0.52) KIF11NTRK1FLT3MEN1KMT2A
SCHEMBL3563882 0.84 ALDH1A1 (0.45) KIF11MEN1KMT2APFKFB3RAB9A
SCHEMBL3572007 0.81 KIF11 (0.44) KIF11NTRK1FLT3MEN1KMT2A
SCHEMBL3565715 0.81 FYN (0.47) SYKRAB9A
SCHEMBL3556916 0.79 NR1H2 (0.46) KIF11SYK
SCHEMBL3569720 0.79 NR1H2 (0.48) KIF11MEN1KMT2ASYKPFKFB3
SCHEMBL3562756 0.79 SYK (0.42) KIF11SYKPFKFB3HSD11B1
SCHEMBL3569629 0.79 KIF11 (0.39) KIF11PFKFB3HSD11B1CYP2D6PSEN1
SCHEMBL3563276 0.79 LRRK2 (0.48) KIF11SYK

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 11 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 claimed
EP-2468727-A1 Pyridine and pyrimidine derivatives as MGLUR2 antagonists F. Hoffmann-La Roche AG (CH) 2012-06-27 EP claimed
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 claimed
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GATTI MCARTHUR SILVIA 2009-12-24 US claimed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 US claimed
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
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 US 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 KIF11 3845/4885NTRK1 1899/4885FLT3 612/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 KIF11 3339/4885NTRK1 1173/4885FLT3 629/4885

“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.