SCHEMBL1469231

SCHEMBL1469231

O=[N+]([O-])c1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.57
ABL1 P00519 3/20 0.50
BCR P11274 3/20 0.50
PRKCA P17252 3/20 0.50
EGFR P00533 1/20 0.50
SRC P12931 1/20 0.50
CNR2 P34972 1/20 0.49
VCP P55072 2/20 0.47
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CDK4 P11802 2/20 0.42
PIM1 P11309 1/20 0.42
CCND3 P30281 1/20 0.42
MTOR P42345 1/20 0.42
GSK3B P49841 1/20 0.42
MKNK2 Q9HBH9 3/20 0.42
MKNK1 Q9BUB5 2/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL961873 0.83 CCNT1 (0.57) PLK1CNR2CDK2
SCHEMBL1466635 0.82 ABL1 (0.51) PLK1ABL1BCRPRKCAPIM1
SCHEMBL1467909 0.81 PLK1 (0.65) PLK1ABL1BCREGFRSRC
SCHEMBL4733651 0.81 PLK1 (0.84) PLK1ABL1BCRPRKCAEGFR
SCHEMBL1469206 0.81 PLK1 (0.45) PLK1ADORA2AADORA1MKNK2MKNK1
SCHEMBL1466919 0.81 PLK1 (0.53) PLK1CNR2MKNK2MKNK1CDK2
SCHEMBL5750681 0.81 MKNK1 (0.47) PLK1ADORA2AADORA1CDK8CDK4
SCHEMBL27538098 0.79 PLK1 (0.59) PLK1ABL1BCRPRKCAEGFR
SCHEMBL1467465 0.78 PLK1 (0.46) PLK1CDK8MKNK2MKNK1CDK2
SCHEMBL1467496 0.77 DYRK1A (0.45) PLK1MKNK2MKNK1CDK2

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-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor EpiAxis Therapeutics Pty Ltd. (AU) 2017-09-21 US disclosed
US-20160354367-A1 Stem Cell Modulation II UNIVERSITY OF CANBERRA (AU) 2016-12-08 US disclosed
US-8268822-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268822-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-7732444-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-7732444-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-7732444-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
EP-2123647-A1 2-(amino-substituted)-4-phenyl pyrimidines useful for treating inflammatory diseases Millennium Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
EP-1701944-B1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARM INC (US) 2009-07-29 EP disclosed
EP-1701944-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-09-20 EP disclosed
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-02-23 US disclosed
WO-2005066139-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-21 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 (4 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-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PLK1 227/4885ABL1 1005/4885BCR 440/4885
US-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES PRKCZ, PRKCQ, PRKCE PLK1 1135/4885ABL1 777/4885BCR 1420/4885
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases PRKCZ, PRKCQ, PRKCE PLK1 1135/4885ABL1 777/4885BCR 1420/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PLK1 84/4885ABL1 920/4885BCR 646/4885

“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.