SCHEMBL16447934

SCHEMBL16447934

CCc1nc(-c2ccc(OC)c(F)c2)nc2c1ccn2-c1cccc(OCC(=O)N2CCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 11/20 0.54
▸ 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 0.38
▸ GAA P10253 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ TP53 P04637 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
SCHEMBL17784202 0.94 PDE4B (0.53) PDE4BGAATP53
SCHEMBL17784226 0.93 PDE4B (0.52) PDE4BALDH1A1SMN1; SMN2GAATP53
SCHEMBL17784235 0.88 PDE4B (0.56) PDE4BGAATP53
SCHEMBL19118056 0.88 PDE4B (0.60) PDE4B
SCHEMBL17784207 0.87 PDE4B (0.55) PDE4B
SCHEMBL16448257 0.86 PDE4B (0.53) PDE4B
SCHEMBL17784208 0.86 PDE4B (0.54) PDE4BSMN1; SMN2
SCHEMBL17784217 0.86 PDE4B (0.60) PDE4BSMN1; SMN2
SCHEMBL16448339 0.86 PDE4B (0.52) PDE4BSMN1; SMN2
SCHEMBL17784209 0.83 PDE4B (0.58) PDE4BPOLBSMN1; SMN2TP53

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 2/4885ALDH1A1 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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