SCHEMBL896991

SCHEMBL896991

CC1(C)OB(c2cc(N3CCOCC3)nc(N3CCOCC3)n2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
NPSR1 Q6W5P4 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CA P42336 4/20 0.44
MAP3K12 Q12852 1/20 0.44
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MTOR P42345 2/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CB P42338 1/20 0.40
LMNA P02545 1/20 0.39
GBA1 P04062 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
SCHEMBL902151 0.80 KMT2A (0.47) KMT2ANPSR1HRH4ALDH1A1KDM4E
SCHEMBL9003193 0.77 KMT2A (0.76) KMT2ANPSR1HRH4ALDH1A1KDM4E
SCHEMBL9989079 0.76 GAA (0.43) KMT2ANPSR1ALDH1A1KDM4EMEN1
SCHEMBL10137342 0.76 KMT2A (0.37) KMT2ANPSR1HRH4ALDH1A1KDM4E
SCHEMBL17667874 0.75 KMT2A (0.52) KMT2ANPSR1HRH4ALDH1A1KDM4E
SCHEMBL31372447 0.74 ALDH1A1 (0.40) KMT2AALDH1A1KDM4EMEN1GAA
SCHEMBL12731668 0.74 ALDH1A1 (0.40) KMT2AALDH1A1KDM4EMEN1GAA
SCHEMBL13326955 0.72 KMT2A (1.00) KMT2ANPSR1HRH4ALDH1A1KDM4E
SCHEMBL9640164 0.72 KMT2A (0.69) KMT2ANPSR1HRH4ALDH1A1KDM4E
SCHEMBL9640988 0.72 KMT2A (0.69) KMT2ANPSR1HRH4ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3040333-B1 CRYSTALLINE FORMS OF 5-(2,6-DI-4-MORPHOLINYL-4-PYRIDMIDINYL)-4-TRIFLUOROMETHYLPYRIDIN-2-AMINE, A PIK3 INHIBITOR NOVARTIS AG (CH) 2018-09-12 EP 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
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
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-9359326-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-06-07 US disclosed
US-9359326-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-06-07 US disclosed
US-9181215-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2015-11-10 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
US-20150232446-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2015-08-20 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
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 KMT2A 2193/4885NPSR1 4083/4885HRH4 1424/4885
US-20150232446-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 KMT2A 2176/4885NPSR1 3892/4885HRH4 1111/4885
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 KMT2A 2176/4885NPSR1 3892/4885HRH4 1111/4885

“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.