SCHEMBL8057017

SCHEMBL8057017

[O-][S+]1CCc2nc(N3CCC(OCc4ccccc4)CC3)nc(NC3CCOCC3)c21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 5/20 0.38
▸ DNMT3A Q9Y6K1 7/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PDE5A O76074 1/20 0.37
▸ PDE4D Q08499 1/20 0.36
▸ SCN9A Q15858 3/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ PRMT8 Q9NR22 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ EZH2 Q15910 1/20 0.35
▸ NSD3 Q9BZ95 1/20 0.35
▸ EHMT1 Q9H9B1 1/20 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
SCHEMBL12921369 0.88 PDE4D (0.37) EHMT2DNMT3APDE4DEHMT1
SCHEMBL12948483 0.84 PDE4D (0.35) EHMT2PDE4DEHMT1
SCHEMBL12921249 0.84 PDE4D (0.41) EHMT2DNMT3ATSHRPDE5APDE4D
SCHEMBL8059828 0.83 PDE4D (0.40) EHMT2PDE4DEHMT1
SCHEMBL12209969 0.83 SCD (0.42) EHMT2PDE4DSCN9AEHMT1
SCHEMBL8057022 0.83 PDE10A (0.37) PDE4DSCN9A
SCHEMBL15088486 0.83 TSHR (0.41) EHMT2DNMT3ATSHRPDE5ASCN9A
SCHEMBL187336 0.81 GPR6 (0.38) EHMT2PDE4DEHMT1
SCHEMBL12209704 0.81 PDE4D (0.37) EHMT2DNMT3APDE4DEHMT1
SCHEMBL23068564 0.81 PDE4D (0.43) PDE4D

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 EHMT2 3902/4885DNMT3A 3725/4885TSHR 1555/4885

“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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