SCHEMBL15935751

SCHEMBL15935751

O=C(O)Cc1ccc(Oc2nc(-c3cncs3)nc3c2CCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.43
PDE4D Q08499 8/20 0.39
SRD5A2 P31213 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RXRA P19793 3/20 0.35
RXRB P28702 3/20 0.35
RXRG P48443 3/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35

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
SCHEMBL15935752 0.84 PDE4B (0.42) PDE4BPDE4DSRD5A2SMN1; SMN2RXRA
SCHEMBL15935758 0.82 PDE4B (0.44) PDE4BPDE4DSRD5A2RXRARXRB
SCHEMBL17290172 0.82 PDE4B (0.47) PDE4BPDE4DSRD5A2SMN1; SMN2RXRA
SCHEMBL15935754 0.82 PDE4B (0.43) PDE4BPDE4DSRD5A2SMN1; SMN2RXRA
SCHEMBL15935755 0.82 PDE4B (0.44) PDE4BPDE4DSRD5A2SMN1; SMN2RXRA
SCHEMBL17290175 0.80 PDE4B (0.48) PDE4BPDE4DSRD5A2SMN1; SMN2BCHE
SCHEMBL15935756 0.80 PDE4B (0.53) PDE4BPDE4DSRD5A2
SCHEMBL15935818 0.80 PDE4B (0.42) PDE4BPDE4DSRD5A2RXRARXRB
SCHEMBL15924645 0.80 PDE4B (0.43) PDE4BPDE4DSRD5A2SMN1; SMN2RXRA
SCHEMBL15935770 0.80 PDE4B (0.43) PDE4BPDE4DSRD5A2SMN1; SMN2RXRA

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.