SCHEMBL17784229

SCHEMBL17784229

CCc1nc(-c2ccc(OC)c(F)c2)nc2c1CCN2c1cccc(OCC(=O)N(C)C2CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 12/20 0.67
▸ PDE4A P27815 5/20 0.36
▸ PDE4C Q08493 5/20 0.36
▸ PDE4D Q08499 5/20 0.36
▸ PTGIR P43119 2/20 0.36
▸ PTGDR Q13258 1/20 0.36
▸ MCHR1 Q99705 2/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ GPR52 Q9Y2T5 1/20 0.34

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
SCHEMBL16446841 0.92 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPTGIR
SCHEMBL17784218 0.90 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DPTGIR
SCHEMBL17784222 0.87 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DGPR52
SCHEMBL17784231 0.87 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL17784215 0.86 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DGPR52
SCHEMBL17784220 0.85 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DGPR52
SCHEMBL17784203 0.83 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL17784230 0.83 PDE4B (0.83) PDE4BPDE4APDE4CPDE4DCYP2C19
SCHEMBL17784217 0.83 PDE4B (0.60) PDE4BPTGIRPTGDRMCHR1CYP2C19
SCHEMBL17784204 0.81 PDE4B (0.65) PDE4BPDE4DGPR52

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
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
US-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-06-02 — — 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-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS PDE4A, PDE4B, TYMP PDE4B 2/4885PDE4A 1/4885PDE4C 5/4885

“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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