SCHEMBL896491

SCHEMBL896491

CC(=O)Nc1cc(C(F)(F)F)c(Br)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.48
PIK3R1 P27986 2/20 0.48
MTOR P42345 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
EPHX1 P07099 1/20 0.45
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PTK2 Q05397 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
GCK P35557 1/20 0.40
EGFR P00533 1/20 0.39
DHODH Q02127 1/20 0.39
HTT P42858 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 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
SCHEMBL16611092 0.85 KDR (0.48) PIK3CAPIK3R1MTOREPHX1HTT
SCHEMBL29728353 0.85 KDR (0.48) PIK3CAPIK3R1MTOREPHX1HTT
SCHEMBL23140059 0.85 NOTUM (0.42) PIK3CAPIK3R1MTOREPHX1PIK3C3
SCHEMBL17059109 0.83 PIK3CA (0.49) PIK3CAPIK3R1MTORL3MBTL1HDAC4
SCHEMBL16908092 0.81 GSK3B (0.43) EPHX1GCKHTTMEN1NPC1
SCHEMBL17899122 0.81 PIK3CA (0.48) PIK3CAPIK3R1MTORL3MBTL1HDAC4
SCHEMBL897009 0.80 PIK3CA (0.50) PIK3CAPIK3R1MTORL3MBTL1HDAC4
SCHEMBL20772248 0.79 L3MBTL1 (0.52) L3MBTL1HDAC4HDAC6PTK2PIK3C3
SCHEMBL13016572 0.78 CYP3A4 (0.43) PIK3R1EPHX1EGFRMEN1KMT2A
SCHEMBL16492247 0.77 ASPH (0.45) EPHX1DHODHHTTMEN1NPC1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637468-B2 Process for manufacturing 5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-trifluoromethylpyridin-2-amine NOVARTIS AG (CH) 2017-05-02 US claimed
EP-2912030-B1 IMPROVED PROCESS FOR MANUFACTURING 5-(2,6-DI-4-MORPHOLINYL-4-PYRIMIDINYL)-4-TRIFLUOROMETHYLPYRIDIN-2-AMINE NOVARTIS AG (CH) 2016-08-31 EP claimed
US-20150246897-A1 Process for Manufacturing 5-(2,6-Di-4-morpholinyl-4-pyrimidinyl)-4-trifluoromethylpyridin-2-amine NOVARTIS PHARMA AG (CH) 2015-09-03 US claimed
EP-2912030-A1 IMPROVED PROCESS FOR MANUFACTURING 5-(2,6-DI-4-MORPHOLINYL-4-PYRIMIDINYL)-4-TRIFLUOROMETHYLPYRIDIN-2-AMINE Novartis AG (CH) 2015-09-02 EP claimed
WO-2014064058-A1 IMPROVED PROCESS FOR MANUFACTURING 5-(2,6-DI-4-MORPHOLINYL-4-PYRIMIDINYL)-4-TRIFLUOROMETHYLPYRIDIN-2-AMINE NOVARTIS AG (CH) 2014-05-01 WO claimed
US-9637468-B2 Process for manufacturing 5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-trifluoromethylpyridin-2-amine NOVARTIS AG (CH) 2017-05-02 US disclosed
US-9637468-B2 Process for manufacturing 5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-trifluoromethylpyridin-2-amine NOVARTIS AG (CH) 2017-05-02 US disclosed
US-9637468-B2 Process for manufacturing 5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-trifluoromethylpyridin-2-amine NOVARTIS AG (CH) 2017-05-02 US disclosed
US-9452994-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-09-27 US disclosed
US-9452994-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-09-27 US disclosed
US-9452994-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-09-27 US disclosed
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES FLUBACHER DIETMAR (DE) 2016-09-01 US disclosed
WO-2014064058-A1 IMPROVED PROCESS FOR MANUFACTURING 5-(2,6-DI-4-MORPHOLINYL-4-PYRIMIDINYL)-4-TRIFLUOROMETHYLPYRIDIN-2-AMINE NOVARTIS AG (CH) 2014-05-01 WO disclosed
WO-2014064058-A1 IMPROVED PROCESS FOR MANUFACTURING 5-(2,6-DI-4-MORPHOLINYL-4-PYRIMIDINYL)-4-TRIFLUOROMETHYLPYRIDIN-2-AMINE NOVARTIS AG (CH) 2014-05-01 WO disclosed
US-20130225571-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2013-08-29 US disclosed
US-20130225571-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2013-08-29 US disclosed
US-20130225571-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2013-08-29 US disclosed
EP-2621908-A2 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES Novartis AG (CH) 2013-08-07 EP disclosed
WO-2012044727-A2 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2012-04-05 WO disclosed
WO-2012044727-A2 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2012-04-05 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 (3 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-20130225571-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, TYMS PIK3CA 879/4885PIK3R1 4209/4885MTOR 1599/4885
US-20150246897-A1 Process for Manufacturing 5-(2,6-Di-4-morpholinyl-4-pyrimidinyl)-4-trifluoromethylpyridin-2-amine PAH, QDPR, NISCH PIK3CA 890/4885PIK3R1 3293/4885MTOR 2016/4885
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 PIK3CA 602/4885PIK3R1 4000/4885MTOR 1568/4885

“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.