SCHEMBL15416148

SCHEMBL15416148

Cn1cc(-c2cccc(-c3ncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5F)c4)cn3)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IRAK1 P51617 8/20 0.54
▸ IRAK4 Q9NWZ3 3/20 0.49
▸ USP30 Q70CQ3 3/20 0.47
▸ GPR119 Q8TDV5 1/20 0.47
▸ HPGDS O60760 3/20 0.45
▸ FGFR3 P22607 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ RET P07949 3/20 0.42
▸ LRRK2 Q5S007 1/20 0.41

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
SCHEMBL15431358 1.00 IRAK1 (0.54) IRAK1IRAK4USP30GPR119HPGDS
SCHEMBL15416149 1.00 IRAK1 (0.54) IRAK1IRAK4USP30GPR119HPGDS
SCHEMBL16713484 0.89 IRAK4 (0.60) IRAK1IRAK4
SCHEMBL15431625 0.89 IRAK4 (0.60) IRAK1IRAK4
SCHEMBL16713487 0.89 IRAK4 (0.60) IRAK1IRAK4
SCHEMBL16899744 0.87 IRAK1 (0.61) IRAK1IRAK4USP30GPR119HPGDS
SCHEMBL15431560 0.86 GPR119 (0.55) IRAK1IRAK4USP30GPR119HPGDS
SCHEMBL15431568 0.86 IRAK1 (0.54) IRAK1IRAK4USP30GPR119HPGDS
SCHEMBL15416527 0.81 IRAK1 (0.61) IRAK1IRAK4USP30GPR119HPGDS
SCHEMBL20280701 0.79 MET (0.52) IRAK1GPR119HPGDSFGFR3KDR

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-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
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

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 75/4885USP30 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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