SCHEMBL973669

SCHEMBL973669

[O-][S+]1CCc2nc(N3CCC(c4cc(Cl)cc(Cl)c4)CC3)nc(NC3CCOCC3)c21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.35
▸ EHMT2 Q96KQ7 8/20 0.35
▸ EHMT1 Q9H9B1 8/20 0.35
▸ SELP P16109 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ PIK3CA P42336 2/20 0.32
▸ TNF P01375 2/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL12921283 0.94 EHMT2 (0.35) PDE4DEHMT2EHMT1SELPTYRO3
SCHEMBL12921490 0.91 TSHR (0.41) PDE4DEHMT2EHMT1PIK3CAMAPK1
SCHEMBL186796 0.91 PDE4D (0.37) PDE4DEHMT2EHMT1TNFEGLN1
SCHEMBL12921249 0.87 PDE4D (0.41) PDE4DEHMT2EHMT1EGLN1KDM4E
SCHEMBL8051590 0.86 PDE4D (0.36) PDE4DEHMT2EHMT1PIK3CATNF
SCHEMBL8058110 0.85 PDE4D (0.42) PDE4DEHMT2EHMT1TNFMAPK1
SCHEMBL10283434 0.85 PDE4D (0.35) PDE4DEHMT2EHMT1TNFMAPK1
SCHEMBL973495 0.85 PDE4D (0.35) PDE4DEHMT2EHMT1TNF
SCHEMBL10266532 0.85 PDE4D (0.35) PDE4DEHMT2EHMT1PIK3CATNF
SCHEMBL12209418 0.85 PDE4D (0.35) PDE4DEHMT2EHMT1PIK3CATNF

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
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
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 — — 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
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.

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