SCHEMBL628610

SCHEMBL628610

CCN(CC)c1cc(Cl)nc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 1/20 0.46
TNFSF10 P50591 1/20 0.44
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PGR P06401 1/20 0.42
POLB P06746 3/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CYP3A4 P08684 1/20 0.40
HTT P42858 4/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 3/20 0.39
XBP1 P17861 1/20 0.39
CASP3 P42574 2/20 0.38
XDH P47989 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL629172 0.81 MAPT (0.53) KMT2ATNFSF10RAB9AMAPTMEN1
SCHEMBL628545 0.73 KMT2A (0.47) KMT2ARAB9AMAPTMEN1ALDH1A1
SCHEMBL497345 0.73 HTT (0.49) KMT2AKDM4ERAB9AMAPTMEN1
SCHEMBL7876325 0.73 CSF1R (0.38) KMT2ATNFSF10MAPTMEN1CYP1A2
SCHEMBL4658394 0.72 PGR (0.42) KMT2ARAB9AMAPTMEN1CYP1A2
SCHEMBL29769219 0.71 XDH (0.58) KMT2ATNFSF10RAB9AMAPTMEN1
SCHEMBL1409329 0.70 NPC1 (0.50) KMT2ATNFSF10RAB9AMAPTMEN1
SCHEMBL28827844 0.70 ALDH1A1 (0.46) KMT2AKDM4ETNFSF10RAB9AMAPT
SCHEMBL13828967 0.69 TNFSF10 (0.50) KMT2ATNFSF10RAB9AMAPTMEN1
SCHEMBL28827851 0.69 TNFSF10 (0.47) KMT2ATNFSF10RAB9AMAPTMEN1

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 11 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
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
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 KMT2A 2762/4885KDM4E 1533/4885TNFSF10 3745/4885

“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.