SCHEMBL897009

SCHEMBL897009

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.50
PIK3R1 P27986 2/20 0.50
MTOR P42345 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PTK2 Q05397 1/20 0.41
PIK3C3 Q8NEB9 3/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
AAK1 Q2M2I8 4/20 0.39
CYP3A4 P08684 3/20 0.39
ADORA3 P0DMS8 1/20 0.38
CDK8 P49336 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 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
SCHEMBL17059109 0.81 PIK3CA (0.49) PIK3CAPIK3R1MTORL3MBTL1HDAC4
SCHEMBL17899122 0.80 PIK3CA (0.48) PIK3CAPIK3R1MTORL3MBTL1HDAC4
SCHEMBL896491 0.80 PIK3CA (0.48) PIK3CAPIK3R1MTORL3MBTL1HDAC4
SCHEMBL29953717 0.78 L3MBTL1 (0.52) L3MBTL1PTK2PIK3C3ADORA3NPC1
SCHEMBL2965101 0.78 L3MBTL1 (0.52) L3MBTL1PTK2PIK3C3ADORA3NPC1
SCHEMBL25118045 0.73 PTK2 (0.51) L3MBTL1PTK2PIK3C3ADORA3NPC1
SCHEMBL31069153 0.71 L3MBTL1 (0.47) L3MBTL1PTK2PIK3C3AAK1NPC1
SCHEMBL17143334 0.71 L3MBTL1 (0.47) L3MBTL1PTK2PIK3C3AAK1NPC1
SCHEMBL30756302 0.71 L3MBTL1 (0.41) L3MBTL1PTK2PIK3C3AAK1NPC1
SCHEMBL28856419 0.70 MTOR (0.40) PIK3CAPIK3R1MTORPIK3C3PIK3CD

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 26 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 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
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES FLUBACHER DIETMAR (DE) 2016-09-01 US disclosed
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES FLUBACHER DIETMAR (DE) 2016-09-01 US disclosed
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 disclosed
EP-3040333-A1 CRYSTALLINE FORMS OF 5-(2,6-DI-4-MORPHOLINYL-4-PYRIDMIDINYL)-4-TRIFLUOROMETHYLPYRIDIN-2-AMINE, A PIK3 INHIBITOR Novartis AG (CH) 2016-07-06 EP disclosed
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 disclosed
US-20150232446-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2015-08-20 US disclosed
US-20150232446-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2015-08-20 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
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 (4 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-20150232446-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 PIK3CA 602/4885PIK3R1 4000/4885MTOR 1568/4885
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.