SCHEMBL17664673

SCHEMBL17664673

CNC(=O)c1ccc2c(c1)OCC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
RARB P10826 4/20 0.43
RARG P13631 4/20 0.43
RARA P10276 3/20 0.43
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
BRD4 O60885 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
PDK2 Q15119 1/20 0.41
RXRA P19793 1/20 0.40
PLK1 P53350 1/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC2 Q92769 1/20 0.40
CYP26A1 O43174 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL17660256 0.84 PDK2 (0.44) CNR2RARBRARGRARAPTGS2
SCHEMBL1021435 0.83 RARB (0.56) CNR2RARBRARGRARAPTGS2
SCHEMBL1018779 0.82 RARB (0.58) RARBRARGRARAPTGS2PTGS1
SCHEMBL1018488 0.81 RARB (0.45) CNR2RARBRARGRARAPTGS2
SCHEMBL28157952 0.81 TSHR (0.51) CNR2RARBRARGRARAPTGS2
SCHEMBL15080892 0.78 RAB9A (0.67) PTGS2MEN1KMT2ALMNAGAA
SCHEMBL20897121 0.75 BRD4 (0.38) CNR2PTGS2BRD4MEN1KMT2A
SCHEMBL21776894 0.75 PTGS1 (0.56) CNR2RARBRARGRARAPTGS2
SCHEMBL17645873 0.74 BTK (0.47) RARBRARGRARAPTGS2MEN1
SCHEMBL29655733 0.74 PLK1 (0.42) MEN1KMT2ALMNAGAAPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 WO disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 US 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-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN CNR2 2124/4885RARB 4844/4885RARG 4859/4885

“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.