SCHEMBL16013442

SCHEMBL16013442

COc1ccc(CN(CCO)C(=O)c2ccc(Br)cc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
TSHR P16473 3/20 0.51
LMNA P02545 2/20 0.51
RECQL P46063 1/20 0.51
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 3/20 0.48
TDP1 Q9NUW8 1/20 0.46
LPAR1 Q92633 5/20 0.43
LPAR5 Q9H1C0 4/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
BMP1 P13497 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
SLC2A1 P11166 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
SCHEMBL19594212 0.88 TSHR (0.51) KDM4ETSHRLMNAALDH1A1TDP1
SCHEMBL16024586 0.85 TMEM97 (0.43) KDM4ETSHRLMNARECQLALDH1A1
SCHEMBL3280774 0.84 TMEM97 (0.56) KDM4ETSHRALDH1A1TDP1TMEM97
SCHEMBL21333004 0.81 TSHR (0.46) KDM4ETSHRLMNARECQLALDH1A1
SCHEMBL30285637 0.81 TSHR (0.46) KDM4ETSHRLMNARECQLALDH1A1
SCHEMBL28853322 0.77 LPAR1 (0.56) KDM4ETSHRLMNARECQLALDH1A1
SCHEMBL15814235 0.76 POLB (0.42) KDM4ETSHRLMNARECQLALDH1A1
SCHEMBL3282539 0.75 ALDH1A1 (0.55) KDM4ETSHRALDH1A1TDP1TMEM97
SCHEMBL28906249 0.75 TSHR (0.46) KDM4ETSHRLMNARECQLALDH1A1
SCHEMBL3614141 0.74 TDP1 (0.54) TSHRALDH1A1TDP1LPAR1LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964642-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
EP-2964642-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 US disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 US disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 US disclosed
EP-2964642-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
WO-2014135474-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 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-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN KDM4E 1301/4885TSHR 2866/4885LMNA 4582/4885

“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.