SCHEMBL16899792

SCHEMBL16899792

Brc1cnn([C@H]2CCC[C@H](N3CCOCC3)C2)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 6/20 0.34
KCNH2 Q12809 4/20 0.34
CNR1 P21554 1/20 0.34
IRAK4 Q9NWZ3 6/20 0.33
LRRK2 Q5S007 1/20 0.33
KDM5A P29375 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 3/20 0.32
WDR5 P61964 1/20 0.32

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
SCHEMBL16899794 1.00 PRCP (0.34) PRCPKCNH2CNR1IRAK4LRRK2
SCHEMBL16907851 1.00 PRCP (0.34) PRCPKCNH2CNR1IRAK4LRRK2
SCHEMBL16899704 1.00 PRCP (0.34) PRCPKCNH2CNR1IRAK4LRRK2
SCHEMBL16899702 1.00 PRCP (0.34) PRCPKCNH2CNR1IRAK4LRRK2
SCHEMBL16899705 1.00 PRCP (0.34) PRCPKCNH2CNR1IRAK4LRRK2
SCHEMBL16899774 0.81 KDM5A (0.34) KDM5AHRH3
SCHEMBL16899746 0.80 IRAK4 (0.37) IRAK4KDM5AWDR5
SCHEMBL16899745 0.80 IRAK4 (0.37) IRAK4KDM5AWDR5
SCHEMBL16899749 0.80 IRAK4 (0.37) IRAK4KDM5AWDR5
SCHEMBL16907864 0.80 IRAK4 (0.37) IRAK4KDM5AWDR5

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
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
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

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 PRCP 3445/4885KCNH2 4442/4885CNR1 3932/4885
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors IRAK2, IRAK3, IRAK1 PRCP 3432/4885KCNH2 3949/4885CNR1 3340/4885

“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.