SCHEMBL629340

SCHEMBL629340

CS(=O)(=O)CCNc1cc(Cl)nc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.51
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PIK3C3 Q8NEB9 2/20 0.38
GSK3B P49841 1/20 0.38
TNFSF10 P50591 1/20 0.37
LMNA P02545 1/20 0.37
LATS1 O95835 1/20 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
SCHEMBL629371 0.77 MEN1 (0.43) PTGS2MEN1KMT2AMAPTABCB1
SCHEMBL629172 0.75 MAPT (0.53) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL4824452 0.72 MAPT (0.63) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL18979207 0.70 MEN1 (0.60) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL628610 0.69 KMT2A (0.46) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL7883148 0.68 CYP1A2 (0.49) PTGS2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL3166477 0.68 MAPT (0.61) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL629576 0.68 MAPT (0.48) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL22828096 0.68 PTGS2 (1.00) PTGS2
SCHEMBL3163028 0.66 KMT2A (0.47) MEN1KMT2AMAPTALDH1A1RAB9A

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 10 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

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 PTGS2 3663/4885MEN1 2335/4885KMT2A 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.