SCHEMBL862198

SCHEMBL862198

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 5/20 0.62
BRD4 O60885 15/20 0.59
PLK1 P53350 15/20 0.59
BRDT Q58F21 10/20 0.59
VRK2 Q86Y07 2/20 0.59
VRK1 Q99986 2/20 0.59
JAK2 O60674 1/20 0.59
CSNK1A1 P48729 1/20 0.59
RPS6KA2 Q15349 1/20 0.59
RPS6KA1 Q15418 1/20 0.59
RPS6KA6 Q9UK32 1/20 0.59
PLK3 Q9H4B4 1/20 0.52
PLK2 Q9NYY3 1/20 0.52

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
SCHEMBL21527053 1.00 RPS6KA3 (0.62) RPS6KA3BRD4PLK1BRDTVRK2
SCHEMBL21916321 0.90 PLK1 (0.68) RPS6KA3BRD4PLK1BRDTCSNK1A1
SCHEMBL861947 0.90 PLK1 (0.68) RPS6KA3BRD4PLK1BRDTCSNK1A1
SCHEMBL12956561 0.87 RPS6KA3 (0.62) RPS6KA3BRD4PLK1BRDTVRK2
SCHEMBL862111 0.86 PLK1 (0.77) RPS6KA3BRD4PLK1BRDTPLK3
SCHEMBL10065440 0.85 BRD4 (0.46) RPS6KA3BRD4PLK1BRDTVRK2
SCHEMBL861752 0.83 PLK1 (0.51) RPS6KA3BRD4PLK1BRDTPLK3
SCHEMBL21527107 0.83 PLK1 (0.52) RPS6KA3BRD4PLK1BRDTCSNK1A1
SCHEMBL862080 0.81 PLK1 (0.85) RPS6KA3BRD4PLK1BRDTCSNK1A1
SCHEMBL12323787 0.81 PLK1 (0.78) RPS6KA3BRD4PLK1BRDTCSNK1A1

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-3560499-A1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES Boehringer Ingelheim International GmbH (DE) 2019-10-30 EP disclosed
US-20130245013-A1 STORAGE STABLE PERFUSION SOLUTION FOR DIHYDROPTERIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20130245013-A1 STORAGE STABLE PERFUSION SOLUTION FOR DIHYDROPTERIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US 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
US-20090238828-A1 Combinations for the Treatment of Diseases involving Cell Proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-24 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 RPS6KA3 253/4885BRD4 4296/4885PLK1 6/4885
US-20120107312-A1 Combinations for the Treatment of Diseases involving Cell Proliferation CCNA1, MKI67, CCNA2 RPS6KA3 205/4885BRD4 2468/4885PLK1 162/4885
US-20090238828-A1 Combinations for the Treatment of Diseases involving Cell Proliferation CCNA1, MKI67, CCNA2 RPS6KA3 205/4885BRD4 2468/4885PLK1 162/4885
US-20090143379-A1 Storage stable perfusion solution for dihydropteridinones QDPR, F5, F12 RPS6KA3 911/4885BRD4 4860/4885PLK1 2334/4885
US-20080171747-A1 Intermediate Compounds for making Dihydropteridinones Useful as Pharmaceutical Compositions QDPR, DHPS, DHODH RPS6KA3 473/4885BRD4 4628/4885PLK1 4090/4885
US-20130245013-A1 STORAGE STABLE PERFUSION SOLUTION FOR DIHYDROPTERIDINONES QDPR, F5, F12 RPS6KA3 911/4885BRD4 4860/4885PLK1 2334/4885
US-20080293944-A1 Piperazinyl Compounds QDPR, DHPS, DPYD RPS6KA3 122/4885BRD4 4157/4885PLK1 3628/4885

“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.