SCHEMBL738357

SCHEMBL738357

C[C@H]1CC[C@@H](N2CC[S+]([O-])CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.34
EBP Q15125 1/20 0.30
DHCR7 Q9UBM7 1/20 0.30

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
SCHEMBL738229 1.00 KDM4E (0.40) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL13227559 1.00 KDM4E (0.40) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL12774218 0.78 ALDH1A1 (0.37) ALDH1A1ALOX15
SCHEMBL14355433 0.78 KDM4E (0.53) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL18976856 0.78 KDM4E (0.53) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL14175056 0.76 KDM4E (0.47) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL19853574 0.76 KDM4E (0.47) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL2087258 0.74 HPGD (0.33) KMT2A
SCHEMBL14313611 0.74 KDM4E (0.46) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL736459 0.74 KDM4E (0.46) KDM4EALDH1A1ALOX15KMT2AMEN1

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 16 patents. 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
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-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-8138341-B2 Intermediate compounds useful for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-20 US disclosed
US-8138373-B2 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-20 US disclosed
US-8003786-B2 Dihydropteridinone compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2011-08-23 US disclosed
US-20100324288-A1 Dihydropteridinone Compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-23 US disclosed
US-20100249458-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-20100249412-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-7759485-B2 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 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-20080221099-A1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES ONCOHEROES BIOSCIENCES INC. 2008-09-11 US disclosed
US-20080177066-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 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 (9 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-20100324288-A1 Dihydropteridinone Compounds QDPR, DHPS, DHFR KDM4E 4368/4885ALDH1A1 1055/4885ALOX15 1505/4885
US-20080221099-A1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES PLK4, TK1, POLK KDM4E 4546/4885ALDH1A1 3183/4885ALOX15 2168/4885
US-20120107312-A1 Combinations for the Treatment of Diseases involving Cell Proliferation CCNA1, MKI67, CCNA2 KDM4E 4564/4885ALDH1A1 1053/4885ALOX15 1217/4885
US-20090238828-A1 Combinations for the Treatment of Diseases involving Cell Proliferation CCNA1, MKI67, CCNA2 KDM4E 4564/4885ALDH1A1 1053/4885ALOX15 1217/4885
US-20100249458-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH KDM4E 3687/4885ALDH1A1 731/4885ALOX15 1081/4885
US-20090143379-A1 Storage stable perfusion solution for dihydropteridinones QDPR, F5, F12 KDM4E 4832/4885ALDH1A1 1200/4885ALOX15 379/4885
US-20080177066-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH KDM4E 3687/4885ALDH1A1 731/4885ALOX15 1081/4885
US-20130245013-A1 STORAGE STABLE PERFUSION SOLUTION FOR DIHYDROPTERIDINONES QDPR, F5, F12 KDM4E 4832/4885ALDH1A1 1200/4885ALOX15 379/4885
US-20100249412-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH KDM4E 3687/4885ALDH1A1 731/4885ALOX15 1081/4885

“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.