SCHEMBL578958

SCHEMBL578958

O=C(O)c1ccc(Nc2nccc(=O)[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
AURKA O14965 4/20 0.50
AURKB Q96GD4 2/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CAMK2D Q13557 2/20 0.43
MEN1 O00255 3/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
TOP2A P11388 1/20 0.42
BRAF P15056 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL2282586 0.82 TAAR1 (0.59) GAAAURKAPOLBKMT2ASMN1; SMN2
SCHEMBL17213665 0.79 KDM4E (0.56) GAAAURKAAURKBPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL17205819 0.78 KDM4E (0.54) GAAAURKAAURKBPOLBKMT2A
SCHEMBL12235572 0.76 DOT1L (0.42) GAAAURKAPOLBKMT2ASMN1; SMN2
SCHEMBL385200 0.75 ABCG2 (0.46) GAAPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL2521793 0.75 GAA (0.57) GAAAURKAAURKBPOLBSMN1; SMN2
SCHEMBL578661 0.75 GAA (0.57) GAAAURKAAURKBPOLBSMN1; SMN2
SCHEMBL10148235 0.75 GAA (0.64) GAAAURKAPOLBKMT2ASMN1; SMN2
SCHEMBL7285875 0.72 GAA (0.54) GAAAURKAAURKBPOLBKMT2A
SCHEMBL251773 0.71 TSHR (0.67) GAAAURKAKMT2ASMN1; SMN2TSHR

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 29 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
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
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 GAA 2151/4885AURKA 1/4885AURKB 3/4885
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors AURKA, AURKC, AURKB GAA 2151/4885AURKA 1/4885AURKB 3/4885
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS AURKA, AURKC, AURKB GAA 2151/4885AURKA 1/4885AURKB 3/4885

“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.