SCHEMBL629664

SCHEMBL629664

O=[N+]([O-])c1ccc(-c2cc(N3CC4CCC(C3)O4)nc(N3CC4CCC(C3)O4)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
MTOR P42345 2/20 0.40
PIK3CA P42336 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PSD A5PKW4 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 4/20 0.38
APAF1 O14727 2/20 0.37
NSD2 O96028 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
CASP3 P42574 2/20 0.37
SENP8 Q96LD8 2/20 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
SCHEMBL3715528 0.89 KMT2A (0.51) MAP3K12HRH4KMT2AMEN1MTOR
SCHEMBL629777 0.87 HRH4 (0.47) MAP3K12HRH4KMT2AMEN1PIK3CA
SCHEMBL627866 0.83 MEN1 (0.54) HRH4KMT2AMEN1CASP1CASP4
SCHEMBL628521 0.82 MAP3K12 (0.57) MAP3K12HRH4MTORPIK3CA
SCHEMBL628013 0.78 MEN1 (0.49) HRH4KMT2AMEN1CASP1CASP4
SCHEMBL7869710 0.78 KMT2A (0.49) MAP3K12HRH4KMT2AMEN1MTOR
SCHEMBL15144970 0.78 AR (0.39) MAP3K12HRH4KMT2AMEN1MTOR
SCHEMBL2370670 0.77 MEN1 (0.39) HRH4KMT2AMEN1MTORPIK3CA
SCHEMBL3718892 0.77 KMT2A (0.62) MAP3K12HRH4KMT2AMEN1CASP1
SCHEMBL628825 0.75 MTOR (0.55) MTORPIK3CA

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 9 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
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 MAP3K12 85/4885HRH4 3220/4885KMT2A 2762/4885

“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.