SCHEMBL2516504

SCHEMBL2516504

O=C(Cl)c1ccc(Nc2ncc(I)c(Cl)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GSK3B P49841 5/20 0.43
GSK3A P49840 4/20 0.43
AURKA O14965 13/20 0.42
AURKB Q96GD4 4/20 0.41
JAK2 O60674 4/20 0.41
CDK2 P24941 1/20 0.40
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL2523254 0.89 GSK3B (0.54) GSK3BGSK3AAURKAAURKBJAK2
SCHEMBL10148230 0.83 AURKA (0.48) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL578612 0.83 GSK3B (0.53) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL10148189 0.83 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL578690 0.80 GSK3A (0.56) GSK3BGSK3AAURKAJAK2
SCHEMBL15584161 0.75 SYK (0.56) GSK3BGSK3AAURKAAURKBJAK2
SCHEMBL21725113 0.72 AURKA (0.49) HDAC3HDAC1HDAC2HDAC6AURKA
SCHEMBL15584172 0.71 AURKA (0.57) AURKAAURKBJAK2CDK2
SCHEMBL578613 0.71 GSK3B (0.67) GSK3BGSK3AAURKAAURKBJAK2
SCHEMBL14621366 0.71 AURKA (0.59) GSK3BGSK3AAURKAAURKBJAK2

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 14 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-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
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
US-20110251174-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 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-B1 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2009-09-02 EP disclosed
CN-101213179-A 2, 4-diamino-pyrimidines as Aurora inhibitors BOEHRINGER INGELHEIM INT (DE) 2008-07-02 CN 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
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 US 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 HDAC3 1812/4885HDAC1 767/4885HDAC2 843/4885
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors AURKA, AURKC, AURKB HDAC3 1812/4885HDAC1 767/4885HDAC2 843/4885
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS AURKA, AURKC, AURKB HDAC3 1812/4885HDAC1 767/4885HDAC2 843/4885

“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.