SCHEMBL589889

SCHEMBL589889

O=C(O)[C@@H]1C[C@@H](O)CN1c1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 1/20 0.37
▸ AKR1C3 P42330 2/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ SCN9A Q15858 2/20 0.33
▸ P2RY12 Q9H244 1/20 0.33
▸ CETP P11597 3/20 0.33
▸ OGFRL1 Q5TC84 1/20 0.32
▸ GFER P55789 2/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL588890 0.92 MAPT (0.36) GAAMAPTAKR1C3CNR1CNR2
SCHEMBL4071626 0.90 MAPT (0.35) GAAMAPTCNR1CNR2CETP
SCHEMBL4063471 0.90 CNR1 (0.39) GAAMAPTCNR1CNR2SCN9A
SCHEMBL590375 0.90 MAPT (0.37) GAAMAPTCNR1CNR2SCN9A
SCHEMBL5273648 0.87 MAPT (0.32) MAPTAKR1C3NOTUMCETPGFER
SCHEMBL14394648 0.86 KHK (0.33) GAAMAPTCNR1CNR2CETP
Trifluoroacetic Acid SCHEMBL2672126 0.86 C1S (0.32) AKR1C3NOTUM
SCHEMBL589014 0.85 CETP (0.35) GAAMAPTCETPGFERALDH1A1
SCHEMBL5272610 0.85 MAPT (0.32) GAAMAPTAKR1C3GFERALDH1A1
SCHEMBL4072249 0.83 MAPT (0.34) MAPTGFERALDH1A1LMNA

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 17 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
EP-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 — — EP 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-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-1847543-A1 Dihydrothienopyrimidines for the treatment of inflammatory diseases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-10-24 — — EP 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 GAA 1283/4885MAPT 4255/4885AKR1C3 456/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT GAA 2743/4885MAPT 2212/4885AKR1C3 239/4885
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases DPYD, TYMS, TPMT GAA 2950/4885MAPT 2510/4885AKR1C3 328/4885

“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.

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