SCHEMBL589591

SCHEMBL589591

CN1CCC(N(C)C(=O)c2ccc(N3CCN(c4nc5c(c(Nc6cccc(Cl)c6)n4)[S+]([O-])CC5)CC3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.42
▸ JAK1 P23458 14/20 0.42
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SCN9A Q15858 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ BTK Q06187 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL591049 0.95 JAK2 (0.41) JAK2JAK1SCN9ABTK
SCHEMBL588907 0.84 MEN1 (0.42) MEN1LMNAKMT2ASCN9ABTK
SCHEMBL589865 0.81 MAPT (0.41) MEN1KMT2ASCN9AEGFRBTK
SCHEMBL590116 0.81 MAPT (0.43) MEN1LMNAKMT2ASCN9ABRD4
SCHEMBL4063860 0.80 LMNA (0.45) MEN1LMNAKMT2ASCN9ABRD4
SCHEMBL2912346 0.80 ABL1 (0.41) MEN1LMNAKMT2ASCN9A
SCHEMBL4075744 0.79 LMNA (0.38) MEN1LMNAKMT2ASCN9ABRD4
SCHEMBL590220 0.78 EGFR (0.41) MEN1KMT2ABRD4EGFR
Trifluoroacetic Acid SCHEMBL589894 0.78 C1S (0.42) MEN1LMNAKMT2ASCN9ABRD4
Trifluoroacetic Acid SCHEMBL15400059 0.78 MAPT (0.38) MEN1LMNAKMT2ASCN9AEGFR

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 15 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
EP-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 — — EP 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 (2 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 JAK2 416/4885JAK1 140/4885MEN1 3169/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT JAK2 454/4885JAK1 406/4885MEN1 2551/4885

“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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