SCHEMBL15935819

SCHEMBL15935819

Cc1sc(-c2nc3c(c(Oc4ccc(CC(=O)O)cc4)n2)CCC3)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.49
PDE4D Q08499 7/20 0.49
SRD5A2 P31213 3/20 0.38
F2 P00734 1/20 0.37
RXRA P19793 3/20 0.37
RXRB P28702 3/20 0.37
RXRG P48443 3/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37

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
SCHEMBL17290159 0.91 PDE4B (0.41) PDE4BPDE4DBCHEACHE
SCHEMBL15935758 0.85 PDE4B (0.44) PDE4BPDE4DSRD5A2F2RXRA
SCHEMBL15935755 0.84 PDE4B (0.44) PDE4BPDE4DSRD5A2RXRARXRB
SCHEMBL17290161 0.81 PDE4B (0.47) PDE4BPDE4DRXRARXRBRXRG
SCHEMBL17290172 0.81 PDE4B (0.47) PDE4BPDE4DSRD5A2RXRARXRB
SCHEMBL15935754 0.81 PDE4B (0.43) PDE4BPDE4DSRD5A2RXRARXRB
SCHEMBL17290108 0.80 PDE4B (0.47) PDE4BPDE4DSRD5A2F2RXRA
SCHEMBL18833250 0.80 PDE4B (0.47) PDE4BPDE4DSRD5A2RXRARXRB
SCHEMBL17290175 0.79 PDE4B (0.48) PDE4BPDE4DSRD5A2BCHEACHE
SCHEMBL15935762 0.79 PDE4B (0.41) PDE4BPDE4DSRD5A2F2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670189-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2017-06-06 US disclosed
US-9670189-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2017-06-06 US disclosed
US-9670189-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2017-06-06 US disclosed
EP-2951173-B1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS GRUENENTHAL GMBH (DE) 2017-05-17 EP disclosed
EP-2951173-B1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS GRUENENTHAL GMBH (DE) 2017-05-17 EP disclosed
US-20150344496-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-12-03 US disclosed
US-20150344496-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-12-03 US disclosed
US-20150344496-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-12-03 US disclosed
WO-2014117948-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2014-08-07 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 (1 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-20150344496-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS TYMP, PDE4A, DPYD PDE4B 4/4885PDE4D 8/4885SRD5A2 582/4885

“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.