SCHEMBL736828

SCHEMBL736828

C[C@H]1CC[C@@H](N2CCN(CC3CC3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL12715705 1.00 ACHE (0.52) ACHEKDM4EALDH1A1ALOX15MEN1
SCHEMBL736384 1.00 ACHE (0.52) ACHEKDM4EALDH1A1ALOX15MEN1
SCHEMBL22175011 0.92 ACHE (0.63) ACHEKDM4EALDH1A1ALOX15MEN1
SCHEMBL22179235 0.91 ACHE (0.67) ACHEKDM4EALDH1A1ALOX15CHRM5
SCHEMBL25959923 0.89 ACHE (0.46) ACHEKDM4EALDH1A1ALOX15MEN1
SCHEMBL26762522 0.85 ACHE (0.50) ACHEKDM4EALDH1A1ALOX15MEN1
SCHEMBL12716887 0.84 ACHE (0.47) ACHEKDM4ECHRM5ADRA2CTDP1
SCHEMBL12716897 0.84 ACHE (0.47) ACHEKDM4ECHRM5ADRA2CTDP1
SCHEMBL10086238 0.84 KMT2A (0.47) ACHEKDM4EALDH1A1ALOX15MEN1
SCHEMBL11957879 0.84 KMT2A (0.47) ACHEKDM4EALDH1A1ALOX15MEN1

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 21 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
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-8058270-B2 Dihydropteridinones for the treatment of cancer diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-15 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-7750152-B2 Intermediate compounds for making dihydropteridinones useful as pharmaceutical compositions and processes of making the same BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-07-06 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-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-20080177066-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 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 (11 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 ACHE 3136/4885KDM4E 4368/4885ALDH1A1 1055/4885
US-20080221099-A1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES PLK4, TK1, POLK ACHE 4585/4885KDM4E 4546/4885ALDH1A1 3183/4885
US-20120107312-A1 Combinations for the Treatment of Diseases involving Cell Proliferation CCNA1, MKI67, CCNA2 ACHE 3353/4885KDM4E 4564/4885ALDH1A1 1053/4885
US-20090238828-A1 Combinations for the Treatment of Diseases involving Cell Proliferation CCNA1, MKI67, CCNA2 ACHE 3353/4885KDM4E 4564/4885ALDH1A1 1053/4885
US-20100249458-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH ACHE 3463/4885KDM4E 3687/4885ALDH1A1 731/4885
US-20090143379-A1 Storage stable perfusion solution for dihydropteridinones QDPR, F5, F12 ACHE 3519/4885KDM4E 4832/4885ALDH1A1 1200/4885
US-20080171747-A1 Intermediate Compounds for making Dihydropteridinones Useful as Pharmaceutical Compositions QDPR, DHPS, DHODH ACHE 3413/4885KDM4E 4469/4885ALDH1A1 759/4885
US-20080177066-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH ACHE 3463/4885KDM4E 3687/4885ALDH1A1 731/4885
US-20130245013-A1 STORAGE STABLE PERFUSION SOLUTION FOR DIHYDROPTERIDINONES QDPR, F5, F12 ACHE 3519/4885KDM4E 4832/4885ALDH1A1 1200/4885
US-20080293944-A1 Piperazinyl Compounds QDPR, DHPS, DPYD ACHE 2822/4885KDM4E 4088/4885ALDH1A1 709/4885
US-20100249412-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH ACHE 3463/4885KDM4E 3687/4885ALDH1A1 731/4885

“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.