SCHEMBL2520150

SCHEMBL2520150

CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
CA12 O43570 2/20 0.65
CA9 Q16790 2/20 0.65
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA3 P07451 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA5A P35218 1/20 0.60
CA7 P43166 1/20 0.60
CA13 Q8N1Q1 1/20 0.60
CA14 Q9ULX7 1/20 0.60
CA5B Q9Y2D0 1/20 0.60
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
ALDH1A1 P00352 2/20 0.56
ATM Q13315 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TLR9 Q9NR96 1/20 0.56

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
SCHEMBL7335133 0.87 CA12 (0.57) MEN1KMT2ACA12CA9CA1
SCHEMBL6534914 0.84 KMT2A (0.57) MEN1KMT2ACA12CA9CA1
SCHEMBL894793 0.84 KMT2A (0.57) MEN1KMT2ACA12CA9CA2
SCHEMBL7330470 0.84 KMT2A (0.56) MEN1KMT2ACA12CA9CA1
SCHEMBL8272470 0.83 TDP1 (0.60) MEN1KMT2ACA12CA9CA1
SCHEMBL29957869 0.82 CA12 (0.51) MEN1KMT2ACA12CA9CA1
SCHEMBL27033529 0.82 CA12 (0.51) MEN1KMT2ACA12CA9CA1
SCHEMBL812702 0.82 CA12 (0.78) MEN1KMT2ACA12CA9ATM
SCHEMBL7330183 0.81 CA12 (0.50) MEN1KMT2ACA12CA9ATM
SCHEMBL7333882 0.81 CA12 (0.50) MEN1KMT2ACA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
US-20110251174-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 US disclosed
EP-1902037-B1 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2009-09-02 EP disclosed
EP-1902037-A1 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-03-26 EP disclosed
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 US disclosed
WO-2007003596-A1 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 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 (3 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-20110251174-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS AURKA, AURKC, AURKB MEN1 1001/4885KMT2A 280/4885CA12 4115/4885
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors AURKA, AURKC, AURKB MEN1 1001/4885KMT2A 280/4885CA12 4115/4885
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS AURKA, AURKC, AURKB MEN1 1001/4885KMT2A 280/4885CA12 4115/4885

“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.