SCHEMBL589575

SCHEMBL589575

N#Cc1ccc(N2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)[S+]([O-])CC4)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ SCN9A Q15858 2/20 0.40
▸ HTR2C P28335 10/20 0.40
▸ HTR2A P28223 6/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33

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
SCHEMBL12921492 0.88 SCN9A (0.43) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL8038904 0.88 SCN9A (0.41) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL194115 0.87 HTR2C (0.40) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL1188202 0.86 CTSL (0.44) CTSLCTSBCTSSCTSKHTR2C
SCHEMBL8040046 0.85 KDM4E (0.42) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL588906 0.85 HTR2C (0.41) SCN9AHTR2CHTR2AKDM4EMEN1
SCHEMBL588838 0.85 MEN1 (0.42) SCN9AHTR2CHTR2AKDM4EMEN1
SCHEMBL8516432 0.85 HTR2C (0.38) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL590854 0.84 IDH2 (0.43) HTR2CHTR2AKDM4EKMT2AHTR1A
SCHEMBL12872277 0.84 NTRK1 (0.38) CTSLCTSBCTSSCTSKSCN9A

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 20 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
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
EP-2010185-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS Boehringer Ingelheim International GmbH (DE) 2009-01-07 — — EP 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
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 CTSL 3672/4885CTSB 2878/4885CTSS 1755/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT CTSL 4446/4885CTSB 3985/4885CTSS 2872/4885
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases DPYD, TYMS, TPMT CTSL 4092/4885CTSB 3766/4885CTSS 2630/4885

“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.

Send feedback