SCHEMBL16446640

SCHEMBL16446640

COc1ccc(-c2nc(C)c3c(n2)N(c2ccc(CC(=O)O)cc2)CC3C)cc1F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 12/20 0.51
▸ PDE4D Q08499 6/20 0.46
▸ DGAT1 O75907 2/20 0.39
▸ SOAT1 P35610 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ ALKBH1 Q13686 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ HPSE Q9Y251 1/20 0.36

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
SCHEMBL16447061 0.90 PDE4B (0.46) PDE4BPDE4DDGAT1SOAT1LMNA
SCHEMBL16446417 0.89 PDE4B (0.44) PDE4BPDE4DMAPTLMNAHPGD
SCHEMBL16446304 0.82 PDE4B (0.67) PDE4BPDE4DMAPTLMNAHPGD
SCHEMBL16446603 0.79 MTNR1A (0.37) PDE4BPDE4DMAPTTSHR
SCHEMBL16447019 0.77 PDE4B (0.82) PDE4BPDE4DLMNAHPGDTSHR
SCHEMBL16446693 0.73 PDE4B (0.64) PDE4BPDE4DMAPTLMNAHPGD
SCHEMBL16446831 0.72 PDE4B (0.53) PDE4BPDE4DDGAT1SOAT1MAPT
SCHEMBL17784219 0.72 PDE4B (0.59) PDE4BPDE4DDGAT1SOAT1ALKBH1
SCHEMBL16446133 0.71 GAA (0.51) PDE4BPDE4DMAPTLMNAHPGD
SCHEMBL19119079 0.70 PDE4B (0.71) PDE4BPDE4D

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
EP-3030565-B1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS GRUENENTHAL GMBH (DE) 2017-07-19 — — EP disclosed
US-9688683-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2017-06-27 — — US disclosed
EP-3030565-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-06-15 — — EP disclosed
US-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-06-02 — — US disclosed
WO-2015018534-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-02-12 — — 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-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS PDE4A, PDE4B, TYMP PDE4B 2/4885PDE4D 8/4885DGAT1 3391/4885

“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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