SCHEMBL8059828

SCHEMBL8059828

COC1CCN(c2nc3c(c(NC4CCOCC4)n2)[S+]([O-])CC3)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.40
▸ EHMT2 Q96KQ7 14/20 0.39
▸ EHMT1 Q9H9B1 10/20 0.39
▸ TNF P01375 2/20 0.38
▸ EGFR P00533 1/20 0.34
▸ PIK3CA P42336 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
SCHEMBL12921314 0.85 PDE4D (0.36) PDE4DEHMT2EHMT1TNF
SCHEMBL12921369 0.85 PDE4D (0.37) PDE4DEHMT2EHMT1
SCHEMBL187336 0.84 GPR6 (0.38) PDE4DEHMT2EHMT1TNF
SCHEMBL12209704 0.84 PDE4D (0.37) PDE4DEHMT2EHMT1TNFPIK3CA
SCHEMBL12921318 0.83 GPR6 (0.35) PDE4DEHMT2EHMT1TNF
SCHEMBL8054716 0.83 EHMT1 (0.39) PDE4DEHMT2EHMT1
SCHEMBL8057017 0.83 EHMT2 (0.38) PDE4DEHMT2EHMT1
SCHEMBL8055440 0.83 PDE4D (0.45) PDE4DEHMT2EHMT1
SCHEMBL186760 0.83 GPR6 (0.38) PDE4DEHMT2EHMT1TNF
SCHEMBL12209084 0.83 ACACB (0.38) EHMT2EHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 — — EP disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 — — 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-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 PDE4D 2859/4885EHMT2 3902/4885EHMT1 3376/4885

“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