SCHEMBL578613

SCHEMBL578613

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.67
CHEK1 O14757 1/20 0.60
NTRK2 Q16620 1/20 0.60
GSK3A P49840 5/20 0.54
AURKA O14965 12/20 0.54
AURKB Q96GD4 2/20 0.52
JAK2 O60674 1/20 0.52
MAPK8 P45983 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL578612 0.89 GSK3B (0.53) GSK3BCHEK1NTRK2GSK3AAURKA
SCHEMBL2523254 0.83 GSK3B (0.54) GSK3BCHEK1NTRK2GSK3AAURKA
SCHEMBL14621366 0.83 AURKA (0.59) GSK3BCHEK1NTRK2GSK3AAURKA
SCHEMBL3125757 0.82 IGF1R (0.68) GSK3BNTRK2GSK3AAURKAAURKB
SCHEMBL5262378 0.81 GSK3B (1.00) GSK3BCHEK1NTRK2GSK3AAURKA
SCHEMBL579089 0.80 GSK3B (0.70) GSK3BGSK3AAURKAAURKBJAK2
SCHEMBL13808057 0.79 CDK2 (0.49) GSK3BAURKANPC1RAB9ASMN1; SMN2
SCHEMBL5262926 0.79 GSK3B (0.81) GSK3BCHEK1NTRK2GSK3AAURKA
SCHEMBL3645658 0.79 GSK3B (0.61) GSK3BCHEK1NTRK2GSK3AAURKA
SCHEMBL12212276 0.78 IGF1R (0.59) AURKAAURKBJAK2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 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-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
EP-2027107-B1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 EP 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-2027107-A1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-02-25 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
WO-2007132010-A1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 WO disclosed
WO-2007132010-A1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 WO 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
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 GSK3B 242/4885CHEK1 66/4885NTRK2 3115/4885
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors AURKA, AURKC, AURKB GSK3B 242/4885CHEK1 66/4885NTRK2 3115/4885
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS AURKA, AURKC, AURKB GSK3B 242/4885CHEK1 66/4885NTRK2 3115/4885

“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.