SCHEMBL3571995

SCHEMBL3571995

Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cnc(N)nc3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
MAP4K4 O95819 1/20 0.41
CCNT1 O60563 2/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CDK9 P50750 2/20 0.40
ALOX5AP P20292 4/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KIF11 P52732 1/20 0.39
FEN1 P39748 2/20 0.39
AGXT P21549 1/20 0.38
LTB4R Q15722 2/20 0.38
XDH P47989 1/20 0.38
LCK P06239 1/20 0.37
PSD A5PKW4 1/20 0.37

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
SCHEMBL3570034 0.89 NPBWR1 (0.46) DHODHMAP4K4CCNT1CCNA2CDK2
SCHEMBL31061141 0.89 NPBWR1 (0.46) DHODHMAP4K4CCNT1CCNA2CDK2
SCHEMBL3572067 0.88 PIK3CB (0.40) MAP4K4CCNT1CCNA2CDK2CDK9
SCHEMBL3570340 0.87 MAP4K4 (0.46) DHODHMAP4K4CCNT1CCNA2CDK2
SCHEMBL3569775 0.86 MAP4K4 (0.41) MAP4K4ALOX5APADORA2AADORA1FEN1
SCHEMBL3560222 0.86 ALOX5AP (0.41) CCNT1CCNA2CDK2CDK9ALOX5AP
SCHEMBL3572125 0.86 CCNT1 (0.45) CCNT1CCNA2CDK2CDK9ALOX5AP
SCHEMBL3569085 0.85 ALOX5AP (0.41) DHODHMAP4K4CCNT1CCNA2CDK2
SCHEMBL3572012 0.84 MAP4K4 (0.45) MAP4K4ADORA2AADORA1PSD
SCHEMBL3570446 0.84 KIF11 (0.51) DHODHKIF11AGXTLTB4RPSD

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-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GATTI MCARTHUR SILVIA 2009-12-24 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 DHODH 1237/4885MAP4K4 2799/4885CCNT1 1610/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 DHODH 2002/4885MAP4K4 2013/4885CCNT1 1719/4885

“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.