SCHEMBL17784204

SCHEMBL17784204

CCc1nc(-c2ccc(OC)c(F)c2)nc2c1CCN2c1ccnc(OCC(=O)N(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 9/20 0.65
▸ GPR52 Q9Y2T5 8/20 0.36
▸ CRHR1 P34998 2/20 0.34
▸ PDE4D Q08499 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HIF1A Q16665 1/20 0.33

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 0.88 PDE4B (0.67) PDE4BGPR52PDE4D
SCHEMBL17784210 0.81 PDE4B (0.50) PDE4B
SCHEMBL17784229 0.81 PDE4B (0.67) PDE4BGPR52PDE4D
SCHEMBL17784218 0.80 PDE4B (0.69) PDE4BGPR52PDE4D
SCHEMBL17784214 0.79 PDE4B (1.00) PDE4BCRHR1HPGD
SCHEMBL17784224 0.79 PDE4B (0.38) PDE4BPDE4DALDH1A1
SCHEMBL17784222 0.79 PDE4B (0.69) PDE4BGPR52PDE4D
SCHEMBL17784215 0.78 PDE4B (0.69) PDE4BGPR52PDE4D
SCHEMBL16447019 0.77 PDE4B (0.82) PDE4BPDE4DHPGD
SCHEMBL17784231 0.77 PDE4B (0.66) PDE4BPDE4DALDH1A1

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 1370/4885CRHR1 4004/4885

“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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