SCHEMBL16446564

SCHEMBL16446564

CCc1nc(-c2ccc(OC)c(F)c2)nc2c1CCN2C(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 9/20 0.64
▸ PDE4D Q08499 4/20 0.37
▸ PDE4A P27815 2/20 0.37
▸ PDE4C Q08493 2/20 0.37
▸ MTOR P42345 1/20 0.36
▸ SMPD3 Q9NY59 1/20 0.36
▸ PRKCZ Q05513 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ GALR2 O43603 1/20 0.36
▸ GALR1 P47211 1/20 0.36
▸ ABHD6 Q9BV23 1/20 0.36
▸ CHRM4 P08173 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ AR P10275 1/20 0.35
▸ GPR119 Q8TDV5 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
SCHEMBL16446713 0.84 PDE4B (0.47) PDE4BPDE4DSMPD3CFTRGALR2
SCHEMBL16446846 0.81 PDE4B (0.73) PDE4BPDE4D
SCHEMBL17784214 0.78 PDE4B (1.00) PDE4BCD274
SCHEMBL16446529 0.77 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CSMPD3
SCHEMBL16447019 0.76 PDE4B (0.82) PDE4BPDE4D
SCHEMBL16446717 0.74 PDE4B (0.75) PDE4BPDE4DPRKCZ
SCHEMBL17784222 0.73 PDE4B (0.69) PDE4BPDE4DPDE4APDE4C
SCHEMBL16446841 0.71 PDE4B (0.67) PDE4BPDE4DPDE4APDE4C
SCHEMBL17784215 0.71 PDE4B (0.69) PDE4BPDE4DPDE4APDE4C
SCHEMBL17784231 0.71 PDE4B (0.66) PDE4BPDE4DPDE4APDE4C

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 8/4885PDE4A 1/4885

“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.

Send feedback