SCHEMBL16899744

SCHEMBL16899744

Cn1cc(-c2cccc(-c3ncc(-c4cnn(C5CCCN(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 6/20 0.61
▸ FGFR3 P22607 1/20 0.53
▸ KDR P35968 1/20 0.53
▸ HPGDS O60760 2/20 0.49
▸ GPR119 Q8TDV5 1/20 0.48
▸ USP30 Q70CQ3 4/20 0.47
▸ IRAK4 Q9NWZ3 5/20 0.46
▸ RET P07949 2/20 0.45
▸ MET P08581 1/20 0.43
▸ LRRK2 Q5S007 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
SCHEMBL15431568 0.91 IRAK1 (0.54) IRAK1FGFR3KDRHPGDSGPR119
SCHEMBL15431560 0.90 GPR119 (0.55) IRAK1FGFR3KDRHPGDSGPR119
SCHEMBL16713499 0.89 IRAK4 (0.54) IRAK1IRAK4
SCHEMBL15431627 0.89 IRAK4 (0.54) IRAK1IRAK4
SCHEMBL15416742 0.89 IRAK4 (0.54) IRAK1IRAK4
SCHEMBL16899762 0.88 IRAK4 (0.48) IRAK1IRAK4
SCHEMBL15416148 0.87 IRAK1 (0.54) IRAK1FGFR3KDRHPGDSGPR119
SCHEMBL15431358 0.87 IRAK1 (0.54) IRAK1FGFR3KDRHPGDSGPR119
SCHEMBL15416149 0.87 IRAK1 (0.54) IRAK1FGFR3KDRHPGDSGPR119
SCHEMBL20280701 0.86 MET (0.52) IRAK1FGFR3KDRHPGDSGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors MERCK PATENT GMBH (DE) 2019-06-11 — — US disclosed
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors MERCK PATENT GMBH (DE) 2019-06-11 — — US disclosed
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 — — US disclosed
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 — — US disclosed
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 — — US disclosed
EP-3092225-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS Merck Patent GmbH (DE) 2016-11-16 — — EP disclosed
WO-2015106058-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2015-07-16 — — WO disclosed
WO-2015106058-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2015-07-16 — — 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 (2 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-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS IRAK2, IRAK3, IRAK1 IRAK1 3/4885FGFR3 800/4885KDR 1201/4885
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors IRAK2, IRAK3, IRAK1 IRAK1 3/4885FGFR3 735/4885KDR 1140/4885

“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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