SCHEMBL16713547

SCHEMBL16713547

Cn1cc(-c2cccc(-c3ncc(-c4cnn(CC(=O)N5C[C@@H]6C[C@H]5CO6)c4)cn3)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 2/20 0.49
▸ GSK3B P49841 2/20 0.49
▸ DYRK1A Q13627 2/20 0.49
▸ IRAK4 Q9NWZ3 9/20 0.41
▸ IRAK1 P51617 12/20 0.41
▸ SCN9A Q15858 2/20 0.40
▸ SCN10A Q9Y5Y9 1/20 0.40

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
SCHEMBL16727382 0.85 IRAK4 (0.43) WNT1GSK3BDYRK1AIRAK4IRAK1
SCHEMBL17781934 0.85 IRAK4 (0.43) WNT1GSK3BDYRK1AIRAK4IRAK1
SCHEMBL16730138 0.80 IRAK4 (0.43) IRAK4IRAK1
SCHEMBL16713526 0.80 IRAK4 (0.44) IRAK4IRAK1
SCHEMBL15416036 0.80 IRAK4 (0.51) IRAK4IRAK1
SCHEMBL16713468 0.80 WNT1 (0.48) WNT1GSK3BDYRK1AIRAK4IRAK1
SCHEMBL15416691 0.80 IRAK4 (0.53) IRAK4IRAK1
SCHEMBL15431253 0.79 IRAK1 (0.48) IRAK4IRAK1
SCHEMBL15416438 0.78 WNT1 (0.48) WNT1GSK3BDYRK1AIRAK4IRAK1
SCHEMBL15416616 0.78 IRAK4 (0.52) IRAK4IRAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 — — EP claimed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 — — US claimed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 — — US claimed
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 — — EP disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 — — US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 — — 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-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES DPYD, TYMS, DHFR WNT1 444/4885GSK3B 2682/4885DYRK1A 3533/4885

“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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