SCHEMBL17784222

SCHEMBL17784222

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

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 11/20 0.69
▸ GPR52 Q9Y2T5 3/20 0.40
▸ PDE4A P27815 4/20 0.40
▸ PDE4C Q08493 4/20 0.40
▸ PDE4D Q08499 4/20 0.40
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PFKFB3 Q16875 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ACACA Q13085 1/20 0.36
▸ PDE10A Q9Y233 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
SCHEMBL17784215 0.91 PDE4B (0.69) PDE4BGPR52PDE4APDE4CPDE4D
SCHEMBL16446841 0.91 PDE4B (0.67) PDE4BGPR52PDE4APDE4CPDE4D
SCHEMBL17784220 0.90 PDE4B (0.70) PDE4BGPR52PDE4APDE4CPDE4D
SCHEMBL17784231 0.90 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL17784203 0.88 PDE4B (0.68) PDE4BGPR52PDE4APDE4CPDE4D
SCHEMBL17784229 0.87 PDE4B (0.67) PDE4BGPR52PDE4APDE4CPDE4D
SCHEMBL17784230 0.86 PDE4B (0.83) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL17784218 0.86 PDE4B (0.69) PDE4BGPR52PDE4APDE4CPDE4D
SCHEMBL17784214 0.81 PDE4B (1.00) PDE4BLMNA
SCHEMBL17784235 0.80 PDE4B (0.56) PDE4BKMT2ALMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885GPR52 1370/4885PDE4A 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