SCHEMBL628460

SCHEMBL628460

Nc1ccc(-c2nccc(N3CC4CCC(C3)O4)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.51
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PIK3CA P42336 5/20 0.40
MAP3K12 Q12852 1/20 0.40
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE10A Q9Y233 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
SMG1 Q96Q15 1/20 0.37
PIK3R1 P27986 1/20 0.37
AOC3 Q16853 1/20 0.36

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
SCHEMBL628146 0.85 MTOR (0.57) MTORALDH1A1PIK3CAMAP3K12PIK3R1
SCHEMBL628832 0.81 MTOR (0.54) MTORALDH1A1HSD17B10PIK3CAMAP3K12
SCHEMBL3716498 0.79 PIK3CA (0.49) MTORPIK3CA
SCHEMBL9604990 0.79 MTOR (0.52) MTORHSD17B10USP2PIK3CAMAP3K12
SCHEMBL628412 0.79 MTOR (0.52) MTORCYP1A2PIK3CAMAP3K12CYP2D6
SCHEMBL1408711 0.77 MTOR (0.58) MTORPIK3CAPIK3R1
SCHEMBL628430 0.77 MTOR (0.50) MTORALDH1A1HSD17B10PIK3CAMAP3K12
SCHEMBL628064 0.77 MAPT (0.55) MTORALDH1A1HSD17B10USP2PIK3CA
SCHEMBL628400 0.77 PIK3CA (0.61) MTORPIK3CAPIK3R1
SCHEMBL628755 0.77 PIK3CA (0.59) MTORPIK3CASMG1PIK3R1

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 12 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 claimed
US-8835429-B2 Pyrimidine compounds, their use as mTOR kinase and Pl3 kinase inhibitors, and their syntheses WYETH LLC (US) 2014-09-16 US claimed
EP-2419432-B1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2013-11-20 EP claimed
US-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2012-05-31 US claimed
EP-2419432-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2012-02-22 EP claimed
WO-2010120998-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO claimed
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
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
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 MTOR 1/4885ALDH1A1 3890/4885CYP1A2 3261/4885

“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.