SCHEMBL2815977

SCHEMBL2815977

Oc1cc(O)nc(N2CCOCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
HTT P42858 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 2/20 0.50
PIK3CA P42336 6/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
PIK3R1 P27986 3/20 0.47
MTOR P42345 3/20 0.47
GLA P06280 1/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11851842 0.87 KMT2A (0.70) KMT2AHTTALDH1A1LMNANPSR1
SCHEMBL11305784 0.84 CASP1 (0.39) KMT2AHTTKDM4ENPSR1HRH4
SCHEMBL3997510 0.82 POLB (0.52) KMT2AHTTKDM4EALDH1A1PIK3CA
SCHEMBL8973821 0.81 HTT (0.63) KMT2AHTTKDM4EALDH1A1PIK3CA
SCHEMBL28326273 0.80 KDM4E (0.53) KMT2AHTTKDM4EALDH1A1PIK3CA
SCHEMBL11742121 0.80 LMNA (0.67) HTTKDM4EALDH1A1PIK3CALMNA
SCHEMBL2805776 0.79 CASP1 (0.50) KMT2AHTTKDM4EALDH1A1LMNA
SCHEMBL3876609 0.79 KMT2A (0.51) KMT2AHTTKDM4EALDH1A1PIK3CA
SCHEMBL9418611 0.79 HTT (0.61) KMT2AHTTKDM4EALDH1A1PIK3CA
SCHEMBL9003193 0.78 KMT2A (0.76) KMT2AHTTKDM4EALDH1A1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309221-A1 METHOD OF INHIBITING HAMARTOMA TUMOR CELLS DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-10-16 US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
CN-102952086-B Preparation method of 2-morpholinyl-substituted pyrimidine compounds TIANJIN SCIPHARMACN LTD 2013-08-28 CN disclosed
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 EP disclosed
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 EP disclosed
CN-102952086-A Preparation method of 2-morpholinyl-substituted pyrimidine compounds TIANJIN SCIPHARMACN LTD 2013-03-06 CN disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP disclosed
WO-2009066084-A1 2 -MORPHOLINOPYRIMIDINES AND THEIR USE AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-28 WO disclosed
EP-1984350-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS Novartis AG (CH) 2008-10-29 EP disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 WO disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 WO disclosed
EP-0185778-A1 Method and composition for enhancing the insecticidal activity of certain organophosphorus compounds THE DOW CHEMICAL COMPANY (US) 1986-07-02 EP disclosed
US-4489068-A Method and composition for enhancing the insecticidal activity of certain organophosphorus compounds THE DOW CHEMICAL COMPANY (US) 1984-12-18 US disclosed
US-4107301-A INSECTICIDES, ACARICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-08-15 US 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-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB KMT2A 2616/4885HTT 4458/4885KDM4E 3247/4885
US-20140309221-A1 METHOD OF INHIBITING HAMARTOMA TUMOR CELLS PHPT1, VHL, SDHA KMT2A 721/4885HTT 1321/4885KDM4E 1633/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB KMT2A 2718/4885HTT 4468/4885KDM4E 3313/4885

“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.