SCHEMBL15416639

SCHEMBL15416639

Cn1cc(-c2cccc(-c3ncc(-c4cnn(C[C@@H]5CCCN5C(=O)OC(C)(C)C)c4)cn3)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IRAK1 P51617 9/20 0.53
▸ IRAK4 Q9NWZ3 10/20 0.47
▸ GPR119 Q8TDV5 1/20 0.43
▸ WNT1 P04628 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.41
▸ ROCK2 O75116 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
SCHEMBL16713457 1.00 IRAK1 (0.53) IRAK1IRAK4GPR119WNT1GSK3B
SCHEMBL15416415 1.00 IRAK1 (0.53) IRAK1IRAK4GPR119WNT1GSK3B
SCHEMBL15431347 0.85 IRAK1 (0.56) IRAK1IRAK4GPR119WNT1GSK3B
SCHEMBL15416527 0.83 IRAK1 (0.61) IRAK1IRAK4GPR119WNT1GSK3B
SCHEMBL15416264 0.83 IRAK1 (0.58) IRAK1IRAK4GPR119GSK3BDYRK1A
SCHEMBL15416572 0.80 IRAK1 (0.53) IRAK1IRAK4GPR119WNT1GSK3B
SCHEMBL16713760 0.79 IRAK4 (0.56) IRAK1IRAK4
SCHEMBL15416685 0.79 IRAK4 (0.56) IRAK1IRAK4
SCHEMBL30498622 0.78 UCHL1 (0.48) IRAK1IRAK4USP30
SCHEMBL16899744 0.77 IRAK1 (0.61) IRAK1IRAK4GPR119USP30

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 11 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 disclosed
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-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 — — US 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
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 — — US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 — — US disclosed
EP-2872501-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES Ares Trading S.A. (CH) 2015-05-20 — — EP disclosed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 — — WO disclosed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 — — 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-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES DPYD, TYMS, DHFR IRAK1 117/4885IRAK4 75/4885GPR119 2437/4885

“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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