SCHEMBL1348693

SCHEMBL1348693

O=c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CC2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
YTHDF3 Q7Z739 1/20 0.45
YTHDF1 Q9BYJ9 1/20 0.45
YTHDF2 Q9Y5A9 1/20 0.45
PLAT P00750 4/20 0.45
TDP2 O95551 1/20 0.43
PDE2A O00408 8/20 0.42
KIF11 P52732 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 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
SCHEMBL9522290 0.79 YTHDF2 (0.52) YTHDF3YTHDF1YTHDF2PLATPDE2A
SCHEMBL8987140 0.79 YTHDF2 (0.52) YTHDF3YTHDF1YTHDF2PLATPDE2A
SCHEMBL3560729 0.77 KDM4E (0.47) TDP2KIF11KDM4ERAB9A
SCHEMBL3568130 0.75 HTR2C (0.44) PLATPDE2AGAARAB9A
SCHEMBL3556726 0.74 MAPT (0.47) TDP2PDE2AKIF11RAB9A
SCHEMBL8987300 0.71 KIF11 (0.56) PDE2AKIF11KDM4EALDH1A1GLA
SCHEMBL8987203 0.71 KIF11 (0.56) PDE2AKIF11KDM4EALDH1A1GLA
SCHEMBL3569261 0.71 RAB9A (0.46) TDP2PDE2AKIF11RAB9A
SCHEMBL1347360 0.68 GLO1 (0.44) PLATTDP2KIF11
SCHEMBL12937177 0.68 KIF11 (0.67) KIF11ALDH1A1

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 23 patents — showing the first 20. 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
CN-102516161-A Pyridine and pyrimidine derivatives as mglur2 antagonists HOFFMANN LA ROCHE 2012-06-27 CN 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-8063048-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
CN-101180299-B Ethynyl-pyrazolopyrimidine derivatives as MGLUR2 antagonists HOFFMANN LA ROCHE 2010-12-15 CN disclosed
US-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2010-08-19 US disclosed
US-7718661-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-05-18 US disclosed
EP-1863818-B1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-03-10 EP disclosed
US-7642264-B2 Phenyl-substituted pyrimidine derivatives as mGluR antagonists HOFFMAN-LA ROCHE INC. (US) 2010-01-05 US disclosed
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2008-12-04 US disclosed
US-7446113-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-04 US disclosed
CN-101180299-A Ethynyl-pyrazolopyrimidine derivatives as MGLUR2 antagonists HOFFMANN LA ROCHE (CH) 2008-05-14 CN disclosed
EP-1863818-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 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
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives MCARTHUR SILVIA G 2007-07-19 US disclosed
US-7238808-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-07-03 US disclosed
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-09-28 US disclosed
WO-2006099972-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 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 (5 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 YTHDF3 1600/4885YTHDF1 1538/4885YTHDF2 1088/4885
US-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 YTHDF3 3858/4885YTHDF1 4167/4885YTHDF2 4061/4885
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 YTHDF3 3858/4885YTHDF1 4167/4885YTHDF2 4061/4885
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 YTHDF3 3858/4885YTHDF1 4167/4885YTHDF2 4061/4885
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, ADORA2B, TPMT YTHDF3 4062/4885YTHDF1 4285/4885YTHDF2 4174/4885

“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.