SCHEMBL15416527

SCHEMBL15416527

Cn1cc(-c2cccc(-c3ncc(-c4cnn(CC5CCN(C(=O)OC(C)(C)C)C5)c4)cn3)c2)cn1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IRAK1 P51617 7/20 0.61
▸ GPR119 Q8TDV5 1/20 0.49
▸ USP30 Q70CQ3 4/20 0.48
▸ IRAK4 Q9NWZ3 5/20 0.46
▸ HPGDS O60760 3/20 0.46
▸ MET P08581 1/20 0.43
▸ RET P07949 1/20 0.43
▸ WNT1 P04628 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42

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
SCHEMBL15431347 0.95 IRAK1 (0.56) IRAK1GPR119USP30IRAK4HPGDS
SCHEMBL15416264 0.93 IRAK1 (0.58) IRAK1GPR119USP30IRAK4RET
SCHEMBL15416572 0.86 IRAK1 (0.53) IRAK1GPR119USP30IRAK4HPGDS
SCHEMBL17781950 0.84 IRAK1 (0.49) IRAK1IRAK4
SCHEMBL16713457 0.83 IRAK1 (0.53) IRAK1GPR119USP30IRAK4WNT1
SCHEMBL15416639 0.83 IRAK1 (0.53) IRAK1GPR119USP30IRAK4WNT1
SCHEMBL15416415 0.83 IRAK1 (0.53) IRAK1GPR119USP30IRAK4WNT1
SCHEMBL15431560 0.82 GPR119 (0.55) IRAK1GPR119USP30IRAK4HPGDS
SCHEMBL15431358 0.81 IRAK1 (0.54) IRAK1GPR119USP30IRAK4HPGDS
SCHEMBL15416148 0.81 IRAK1 (0.54) IRAK1GPR119USP30IRAK4HPGDS

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 117/4885GPR119 2437/4885USP30 4081/4885

“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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