SCHEMBL628366

SCHEMBL628366

FC(F)(F)c1cc(N2CC3CCC(C2)O3)nc(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.40
PIK3CA P42336 7/20 0.39
MTOR P42345 2/20 0.39
KHK P50053 8/20 0.38
MAP3K12 Q12852 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PIK3R1 P27986 4/20 0.36
SOS1 Q07889 1/20 0.36
PDE10A Q9Y233 1/20 0.35
CTSS P25774 1/20 0.35

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
SCHEMBL9607456 0.85 MAP3K12 (0.40) HRH4PIK3CAMTORMAP3K12PIK3R1
SCHEMBL629173 0.85 MAP3K12 (0.40) HRH4PIK3CAMTORMAP3K12PIK3R1
SCHEMBL25242115 0.81 HRH4 (0.43) HRH4KHKNPSR1PDE10A
SCHEMBL30954178 0.81 HRH4 (0.43) HRH4KHKNPSR1PDE10A
SCHEMBL629306 0.80 MAP3K12 (0.38) HRH4PIK3CAMTORMAP3K12PIK3R1
SCHEMBL9604992 0.78 HRH3 (0.43) HRH4PIK3CAMTORMAP3K12
SCHEMBL30455420 0.76 HRH4 (0.43) HRH4KHKPDE10ACTSS
SCHEMBL25246123 0.76 HRH4 (0.43) HRH4KHKPDE10ACTSS
SCHEMBL629658 0.75 HPGD (0.50) HRH4PIK3CAMTORMAP3K12NPSR1
SCHEMBL621415 0.73 MAP3K12 (0.48) HRH4PIK3CAMTORMAP3K12

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419432-B9 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2016-02-17 EP disclosed
US-8835429-B2 Pyrimidine compounds, their use as mTOR kinase and Pl3 kinase inhibitors, and their syntheses WYETH LLC (US) 2014-09-16 US disclosed
US-8835429-B2 Pyrimidine compounds, their use as mTOR kinase and Pl3 kinase inhibitors, and their syntheses WYETH LLC (US) 2014-09-16 US disclosed
EP-2419432-B1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2013-11-20 EP disclosed
US-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2012-05-31 US disclosed
US-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2012-05-31 US disclosed
EP-2419432-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2012-02-22 EP disclosed
WO-2010120998-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 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 (1 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-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD HRH4 3220/4885PIK3CA 2/4885MTOR 1/4885

“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.