SCHEMBL8058110

SCHEMBL8058110

[O-][S+]1CCc2nc(N3CCC(c4ccc(F)cc4)CC3)nc(NC3CCOCC3)c21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 5/20 0.42
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTR2A P28223 3/20 0.36
▸ EHMT2 Q96KQ7 8/20 0.35
▸ EHMT1 Q9H9B1 6/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTR2C P28335 2/20 0.33
▸ TNF P01375 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
SCHEMBL15976837 0.96 PDE4D (0.40) PDE4DALDH1A1KMT2AHTR2AEHMT2
SCHEMBL973495 0.91 PDE4D (0.35) PDE4DEHMT2EHMT1TNF
SCHEMBL186796 0.91 PDE4D (0.37) PDE4DKMT2AEHMT2EHMT1TNF
SCHEMBL10283434 0.91 PDE4D (0.35) PDE4DEHMT2EHMT1MAPK1MAPT
SCHEMBL10266532 0.91 PDE4D (0.35) PDE4DEHMT2EHMT1TNF
SCHEMBL12209418 0.91 PDE4D (0.35) PDE4DEHMT2EHMT1TNF
SCHEMBL12921249 0.91 PDE4D (0.41) PDE4DALDH1A1KMT2AHTR2AEHMT2
SCHEMBL973290 0.90 TRPV1 (0.37) PDE4D
SCHEMBL8051590 0.90 PDE4D (0.36) PDE4DEHMT2EHMT1TNF
SCHEMBL8055904 0.89 MLYCD (0.35) PDE4DHTR2AEHMT2EHMT1

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 8 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-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 — — EP 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 2859/4885ALDH1A1 319/4885KMT2A 2536/4885

“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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