SCHEMBL16899847

SCHEMBL16899847

C=CC(=O)N1CCCC(n2cc(-c3cnc(-c4cccc(-c5cnn(C)c5)c4)nc3)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.49
▸ JAK3 P52333 2/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ IRAK1 P51617 10/20 0.46
▸ IRAK4 Q9NWZ3 7/20 0.46

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
SCHEMBL16713499 0.90 IRAK4 (0.54) IRAK1IRAK4
SCHEMBL15416742 0.90 IRAK4 (0.54) IRAK1IRAK4
SCHEMBL15431627 0.90 IRAK4 (0.54) IRAK1IRAK4
SCHEMBL16899762 0.89 IRAK4 (0.48) IRAK1IRAK4
SCHEMBL16899852 0.89 IRAK4 (0.51) BTKJAK3JAK2JAK1TYK2
SCHEMBL16899744 0.84 IRAK1 (0.61) IRAK1IRAK4
SCHEMBL16713500 0.84 IRAK4 (0.58) IRAK1IRAK4
SCHEMBL15431255 0.84 IRAK4 (0.58) IRAK1IRAK4
SCHEMBL15416633 0.84 IRAK4 (0.58) IRAK1IRAK4
SCHEMBL15431312 0.84 IRAK4 (0.57) IRAK1IRAK4

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 BTK 16/4885JAK3 70/4885JAK2 35/4885
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors IRAK2, IRAK3, IRAK1 BTK 28/4885JAK3 66/4885JAK2 62/4885

“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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