SCHEMBL8057035

SCHEMBL8057035

[O-][S+]1CCc2nc(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)nc(NC3CCOCC3)c21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.35
▸ HRH1 P35367 5/20 0.35
▸ CCR3 P51677 5/20 0.35
▸ KCNH2 Q12809 5/20 0.35
▸ EHMT2 Q96KQ7 7/20 0.34
▸ EHMT1 Q9H9B1 7/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ FPR2 P25090 2/20 0.33
▸ PROKR1 Q8TCW9 2/20 0.33
▸ DNMT3A Q9Y6K1 1/20 0.32

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
SCHEMBL12921324 0.94 EHMT2 (0.37) PDE4DEHMT2EHMT1EGLN1PDE2A
SCHEMBL186760 0.91 GPR6 (0.38) PDE4DEHMT2EHMT1EGLN1
SCHEMBL8044027 0.88 PDE4D (0.38) PDE4DKCNH2EHMT2EHMT1
SCHEMBL12209704 0.88 PDE4D (0.37) PDE4DEHMT2EHMT1PDE10ADNMT3A
SCHEMBL12921314 0.87 PDE4D (0.36) PDE4DEHMT2EHMT1
SCHEMBL8055440 0.87 PDE4D (0.45) PDE4DKCNH2EHMT2EHMT1
SCHEMBL12921369 0.87 PDE4D (0.37) PDE4DEHMT2EHMT1EGLN1DNMT3A
SCHEMBL8056344 0.87 MEN1 (0.41) PDE4DEHMT2EHMT1PDE2A
SCHEMBL12921321 0.87 HRH3 (0.36) PDE4DEHMT2EHMT1EGLN1PDE10A
SCHEMBL15976781 0.87 MEN1 (0.41) PDE4DEHMT2EHMT1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 — — EP disclosed
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 2859/4885HRH1 16/4885CCR3 482/4885

“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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