SCHEMBL737747

SCHEMBL737747

C[C@H]1CC[C@@H](N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.65
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
MBTD1 Q05BQ5 1/20 0.61
L3MBTL3 Q96JM7 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 2/20 0.57
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SLC18A3 Q16572 1/20 0.50

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
SCHEMBL11980117 1.00 GRIN2B (0.65) GRIN2BMEN1KMT2AMBTD1L3MBTL3
SCHEMBL13240777 1.00 GRIN2B (0.65) GRIN2BMEN1KMT2AMBTD1L3MBTL3
SCHEMBL14161697 0.91 GRIN2B (0.76) GRIN2BMBTD1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL22940344 0.84 KMT2A (0.64) GRIN2BMEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL11980118 0.84 GRIN2B (0.57) GRIN2BMBTD1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL12662876 0.84 L3MBTL3 (0.73) GRIN2BMBTD1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL13648726 0.83 L3MBTL3 (0.72) GRIN2BMBTD1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL13648728 0.83 L3MBTL3 (0.72) GRIN2BMBTD1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL22848098 0.83 KMT2A (0.66) GRIN2BMEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL22570046 0.83 MEN1 (0.65) GRIN2BMEN1KMT2AMBTD1L3MBTL3

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 22 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-7786299-B2 Methods for treating diseases or conditions using dihydropteridinone compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-08-31 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 (10 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 GRIN2B 3160/4885MEN1 1555/4885KMT2A 4765/4885
US-20080221099-A1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES PLK4, TK1, POLK GRIN2B 3545/4885MEN1 2507/4885KMT2A 4234/4885
US-20120107312-A1 Combinations for the Treatment of Diseases involving Cell Proliferation CCNA1, MKI67, CCNA2 GRIN2B 2633/4885MEN1 231/4885KMT2A 3566/4885
US-20090238828-A1 Combinations for the Treatment of Diseases involving Cell Proliferation CCNA1, MKI67, CCNA2 GRIN2B 2633/4885MEN1 231/4885KMT2A 3566/4885
US-20100249458-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH GRIN2B 3474/4885MEN1 1474/4885KMT2A 4420/4885
US-20090143379-A1 Storage stable perfusion solution for dihydropteridinones QDPR, F5, F12 GRIN2B 3925/4885MEN1 1038/4885KMT2A 4810/4885
US-20080171747-A1 Intermediate Compounds for making Dihydropteridinones Useful as Pharmaceutical Compositions QDPR, DHPS, DHODH GRIN2B 3469/4885MEN1 690/4885KMT2A 4704/4885
US-20080177066-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH GRIN2B 3474/4885MEN1 1474/4885KMT2A 4420/4885
US-20130245013-A1 STORAGE STABLE PERFUSION SOLUTION FOR DIHYDROPTERIDINONES QDPR, F5, F12 GRIN2B 3925/4885MEN1 1038/4885KMT2A 4810/4885
US-20080293944-A1 Piperazinyl Compounds QDPR, DHPS, DPYD GRIN2B 3258/4885MEN1 2556/4885KMT2A 4740/4885

“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.