SCHEMBL588758

SCHEMBL588758

COC(=O)CC(=O)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 2/20 0.57
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
POLB P06746 2/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 1/20 0.53
TDP1 Q9NUW8 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
SCHEMBL524126 0.88 ALDH1A1 (0.67) ALDH1A1MAPTCA12CA9POLB
SCHEMBL1989875 0.87 ALDH1A1 (0.61) ALDH1A1MAPTCA12CA9POLB
SCHEMBL1177477 0.87 ALDH1A1 (0.55) ALDH1A1MAPTCA12CA9POLB
SCHEMBL30522630 0.87 ALDH1A1 (0.55) ALDH1A1MAPTCA12CA9POLB
SCHEMBL11453214 0.84 HPGD (0.55) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL8940040 0.82 CA12 (0.73) ALDH1A1MAPTCA12CA9POLB
SCHEMBL11453339 0.81 KMT2A (0.61) ALDH1A1KMT2AMEN1TDP1
SCHEMBL20877842 0.81 CA12 (0.58) ALDH1A1MAPTCA12CA9POLB
SCHEMBL5493333 0.80 MEN1 (0.45) ALDH1A1MAPTCA12CA9POLB
SCHEMBL4983346 0.79 HSD17B10 (0.53) ALDH1A1POLBKMT2AMEN1NPC1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-02 US disclosed
US-8604039-B2 Dihydrothienopyrimidines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-10 US disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 US disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 US disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO disclosed
EP-1847543-A1 Dihydrothienopyrimidines for the treatment of inflammatory diseases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-10-24 EP disclosed
EP-0757681-B1 CONDENSED HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS GnRH ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-09-18 EP disclosed
US-5834463-A CONTROLLING FERTILITY, MENSTRUAL CYCLES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-10 US disclosed
EP-0757681-A1 CONDENSED HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS GnRH ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 1997-02-12 EP disclosed
WO-1995029900-A1 CONDENSED HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS GnRH ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-09 WO disclosed
US-4188395-A 1,4-Dihydropyridine derivatives substituted in the 2 position, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1980-02-12 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 (3 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-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 ALDH1A1 396/4885MAPT 4255/4885CA12 2053/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT ALDH1A1 302/4885MAPT 2212/4885CA12 2757/4885
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases DPYD, TYMS, TPMT ALDH1A1 517/4885MAPT 2510/4885CA12 3367/4885

“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.