SCHEMBL17290141

SCHEMBL17290141

COC(=O)Cc1ccc(Oc2nc(-c3ccc(OC)c(F)c3)nc3c2CS(=O)(=O)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 14/20 0.47
▸ PDE4D Q08499 10/20 0.47
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL15935768 0.92 PDE4B (0.53) PDE4BPDE4D
SCHEMBL15921628 0.90 PDE4B (0.47) PDE4BPDE4DLMNAGAAALDH1A1
SCHEMBL15921020 0.87 PDE4B (0.46) PDE4BPDE4DLMNAALDH1A1TSHR
SCHEMBL17290164 0.86 PDE4B (0.47) PDE4BPDE4DLMNAMEN1RAB9A
SCHEMBL17290163 0.80 LMNA (0.38) PDE4BPDE4DLMNAALDH1A1TSHR
SCHEMBL15921334 0.79 PDE4B (0.53) PDE4BPDE4DLMNAALDH1A1TSHR
SCHEMBL17290216 0.79 PDE4B (0.58) PDE4BPDE4D
SCHEMBL17290169 0.76 LMNA (0.39) PDE4BPDE4DLMNAALDH1A1TSHR
SCHEMBL17290165 0.76 PDE4B (0.42) PDE4BPDE4DLMNAGAA
SCHEMBL18868938 0.76 PDE4B (0.49) PDE4BPDE4DGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670189-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2017-06-06 — — US disclosed
EP-2951173-B1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS GRUENENTHAL GMBH (DE) 2017-05-17 — — EP disclosed
US-20150344496-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-12-03 — — 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 (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-20150344496-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS TYMP, PDE4A, DPYD PDE4B 4/4885PDE4D 8/4885LMNA 2348/4885

“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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