SCHEMBL588906

SCHEMBL588906

CS(=O)(=O)c1ccc(N2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)[S+]([O-])CC4)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ JAK2 O60674 7/20 0.38
▸ JAK3 P52333 6/20 0.38
▸ PTK2 Q05397 6/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ SCN9A Q15858 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
SCHEMBL591054 0.91 TRPV1 (0.41) HTR2CHTR2AKDM4EBRD4JAK2
SCHEMBL8038904 0.87 SCN9A (0.41) HTR2CHTR2AKDM4ESCN9A
SCHEMBL194115 0.87 HTR2C (0.40) HTR2CHTR2AKDM4EMEN1MAPT
SCHEMBL8040046 0.87 KDM4E (0.42) HTR2CHTR2AKDM4EMEN1KMT2A
SCHEMBL588838 0.86 MEN1 (0.42) HTR2CHTR2AKDM4EMEN1MAPT
SCHEMBL8516432 0.86 HTR2C (0.38) HTR2CHTR2AKDM4EMEN1MAPT
SCHEMBL589575 0.85 CTSL (0.44) HTR2CHTR2AKDM4EMEN1MAPT
SCHEMBL589865 0.85 MAPT (0.41) HTR2CHTR2AKDM4EMEN1MAPT
SCHEMBL1187750 0.85 L3MBTL1 (0.41) HTR2CHTR2AKDM4EMAPTSMN1; SMN2
SCHEMBL12872277 0.83 NTRK1 (0.38) HTR2CHTR2AKDM4EMAPTSCN9A

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
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

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 HTR2C 2705/4885HTR2A 3590/4885KDM4E 2263/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT HTR2C 1933/4885HTR2A 2450/4885KDM4E 4450/4885
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases DPYD, TYMS, TPMT HTR2C 978/4885HTR2A 1627/4885KDM4E 4469/4885

“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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