SCHEMBL10283434

SCHEMBL10283434

Cc1ccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)[S+]([O-])CC4)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 5/20 0.35
▸ EHMT2 Q96KQ7 10/20 0.35
▸ EHMT1 Q9H9B1 8/20 0.35
▸ LMNA P02545 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TNF P01375 2/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ MAPT P10636 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
SCHEMBL8058110 0.91 PDE4D (0.42) PDE4DEHMT2EHMT1TNFMAPK1
SCHEMBL973495 0.91 PDE4D (0.35) PDE4DEHMT2EHMT1TNFIRAK4
SCHEMBL12209418 0.91 PDE4D (0.35) PDE4DEHMT2EHMT1TNFIRAK4
SCHEMBL186796 0.91 PDE4D (0.37) PDE4DEHMT2EHMT1TNF
SCHEMBL10266532 0.91 PDE4D (0.35) PDE4DEHMT2EHMT1TNFIRAK4
SCHEMBL12921249 0.91 PDE4D (0.41) PDE4DEHMT2EHMT1LMNA
SCHEMBL8054716 0.90 EHMT1 (0.39) PDE4DEHMT2EHMT1MAPK1MAPT
SCHEMBL8051590 0.90 PDE4D (0.36) PDE4DEHMT2EHMT1TNF
SCHEMBL10265576 0.90 EML4 (0.36) PDE4DEHMT2EHMT1LMNACYP1A2
SCHEMBL8041139 0.89 SOS1 (0.37) PDE4DEHMT2EHMT1TNFMAPT

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 5 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-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PDE4A, PDE12, PDE3B PDE4D 16/4885EHMT2 4304/4885EHMT1 4161/4885
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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