SCHEMBL17784231

SCHEMBL17784231

CCc1nc(-c2ccc(OC)c(F)c2)nc2c1CCN2c1cccc(OCC(=O)N2CCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 8/20 0.66
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ PDE4A P27815 2/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ ENPP2 Q13822 1/20 0.38

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
SCHEMBL17784222 0.90 PDE4B (0.69) PDE4BGAAPDE4APDE4CPDE4D
SCHEMBL17784215 0.88 PDE4B (0.69) PDE4BPOLBPDE4APDE4CPDE4D
SCHEMBL16446841 0.88 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D
SCHEMBL17784220 0.88 PDE4B (0.70) PDE4BPOLBPDE4APDE4CPDE4D
SCHEMBL17784203 0.87 PDE4B (0.68) PDE4BPOLBSMN1; SMN2PDE4APDE4C
SCHEMBL17784229 0.87 PDE4B (0.67) PDE4BSMN1; SMN2PDE4APDE4CPDE4D
SCHEMBL17784230 0.84 PDE4B (0.83) PDE4BPOLBSMN1; SMN2PDE4APDE4C
SCHEMBL17784218 0.84 PDE4B (0.69) PDE4BPDE4APDE4CPDE4D
SCHEMBL16447934 0.82 PDE4B (0.54) PDE4BALDH1A1POLBTDP1L3MBTL1
SCHEMBL17784214 0.79 PDE4B (1.00) PDE4B

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 2/4885ALDH1A1 462/4885POLB 52/4885

“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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