SCHEMBL861777

SCHEMBL861777

COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCCC1)[C@H](C)C(=O)N2C

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.86
BRD4 O60885 18/20 0.86
BRDT Q58F21 15/20 0.86
PLK3 Q9H4B4 4/20 0.70
PRKD3 O94806 3/20 0.70
CLK2 P49760 3/20 0.70
PTK2 Q05397 3/20 0.70
CAMK2G Q13555 3/20 0.70
CAMK2D Q13557 3/20 0.70
PRKD2 Q9BZL6 3/20 0.70
CSNK1G1 Q9HCP0 3/20 0.70
CSNK1G3 Q9Y6M4 3/20 0.70
MAP4K4 O95819 2/20 0.70
PRKCG P05129 2/20 0.70
RPS6KA3 P51812 2/20 0.70
NEK4 P51957 2/20 0.70
SRPK1 Q96SB4 1/20 0.70
PLK2 Q9NYY3 2/20 0.69
TAF1 P21675 2/20 0.69
DAPK3 O43293 2/20 0.65

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
SCHEMBL31098113 1.00 PLK1 (0.86) PLK1BRD4BRDTPLK3PRKD3
SCHEMBL862080 0.99 PLK1 (0.85) PLK1BRD4BRDTPLK3PRKD3
SCHEMBL25787913 0.91 PLK1 (0.85) PLK1BRD4BRDTPLK3PRKD3
SCHEMBL3673712 0.91 PLK1 (0.72) PLK1BRD4BRDTPLK3PRKD3
SCHEMBL21527106 0.90 PLK1 (0.70) PLK1BRD4BRDTPLK3PRKD3
SCHEMBL861945 0.90 PLK1 (0.70) PLK1BRD4BRDTPLK3PRKD3
SCHEMBL15257514 0.90 PLK1 (0.87) PLK1BRD4BRDTPLK3PRKD3
SCHEMBL10098781 0.89 PLK1 (0.69) PLK1BRD4BRDTPLK3PRKD3
SCHEMBL618641 0.89 PLK1 (0.69) PLK1BRD4BRDTPLK3PRKD3
SCHEMBL376134 0.89 PLK1 (0.87) PLK1BRD4BRDTPLK3PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778240-B1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES ONCOHEROES BIOSCIENCES INC (US) 2020-03-25 EP disclosed
EP-2275107-B1 Combinations for the treatment of diseases involving cell proliferation BOEHRINGER INGELHEIM INT (DE) 2016-10-05 EP disclosed
US-8445675-B2 Storage stable perfusion solution for dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-21 US disclosed
US-8445675-B2 Storage stable perfusion solution for dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-21 US disclosed
US-20120107312-A1 Combinations for the Treatment of Diseases involving Cell Proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120107312-A1 Combinations for the Treatment of Diseases involving Cell Proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-8143247-B2 Combinations for the treatment of diseases involving cell proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-27 US disclosed
US-8143247-B2 Combinations for the treatment of diseases involving cell proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-27 US disclosed
EP-2409706-A1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES Boehringer Ingelheim International GmbH (DE) 2012-01-25 EP disclosed
US-8058270-B2 Dihydropteridinones for the treatment of cancer diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-15 US disclosed
US-20090238828-A1 Combinations for the Treatment of Diseases involving Cell Proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-24 US disclosed
US-20090143379-A1 Storage stable perfusion solution for dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-20090143379-A1 Storage stable perfusion solution for dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-20080293944-A1 Piperazinyl Compounds ONCOHEROES BIOSCIENCES INC. 2008-11-27 US disclosed
US-20080293944-A1 Piperazinyl Compounds ONCOHEROES BIOSCIENCES INC. 2008-11-27 US disclosed
US-20080221099-A1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES ONCOHEROES BIOSCIENCES INC. 2008-09-11 US disclosed
US-20080221099-A1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES ONCOHEROES BIOSCIENCES INC. 2008-09-11 US disclosed
US-20080171747-A1 Intermediate Compounds for making Dihydropteridinones Useful as Pharmaceutical Compositions ONCOHEROES BIOSCIENCES INC. 2008-07-17 US disclosed
US-20080171747-A1 Intermediate Compounds for making Dihydropteridinones Useful as Pharmaceutical Compositions ONCOHEROES BIOSCIENCES INC. 2008-07-17 US disclosed
EP-1599478-B1 DIHYDROPTERIDINONES, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2007-05-09 EP 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 (6 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-20080221099-A1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES PLK4, TK1, POLK PLK1 6/4885BRD4 4296/4885BRDT 2760/4885
US-20120107312-A1 Combinations for the Treatment of Diseases involving Cell Proliferation CCNA1, MKI67, CCNA2 PLK1 162/4885BRD4 2468/4885BRDT 760/4885
US-20090238828-A1 Combinations for the Treatment of Diseases involving Cell Proliferation CCNA1, MKI67, CCNA2 PLK1 162/4885BRD4 2468/4885BRDT 760/4885
US-20090143379-A1 Storage stable perfusion solution for dihydropteridinones QDPR, F5, F12 PLK1 2334/4885BRD4 4860/4885BRDT 4719/4885
US-20080171747-A1 Intermediate Compounds for making Dihydropteridinones Useful as Pharmaceutical Compositions QDPR, DHPS, DHODH PLK1 4090/4885BRD4 4628/4885BRDT 4504/4885
US-20080293944-A1 Piperazinyl Compounds QDPR, DHPS, DPYD PLK1 3628/4885BRD4 4157/4885BRDT 4282/4885

“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.