SCHEMBL16792385

SCHEMBL16792385

N#Cc1cccc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.55
VCAM1 P19320 3/20 0.52
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FBP1 P09467 2/20 0.40
KDM4E B2RXH2 1/20 0.40
EPAS1 Q99814 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMO O15229 1/20 0.40
PGR P06401 1/20 0.39
GAA P10253 1/20 0.38
LRRK2 Q5S007 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL21612842 0.86 TSHR (0.44) MERTKVCAM1TSHRMAPK1MAPT
SCHEMBL6578552 0.85 MERTK (0.53) MERTKVCAM1MAPTPDE4APDE4B
SCHEMBL31176940 0.84 MAPT (0.49) MERTKVCAM1TSHRMAPK1MAPT
SCHEMBL20982744 0.84 MAPT (0.49) MERTKVCAM1TSHRMAPK1MAPT
SCHEMBL16792376 0.84 MAPT (0.61) MERTKVCAM1TSHRMAPTPDE4A
SCHEMBL31176850 0.84 MAPT (0.61) MERTKVCAM1TSHRMAPTPDE4A
SCHEMBL9192519 0.82 MAPK1 (0.62) MERTKVCAM1TSHRMAPK1MAPT
SCHEMBL2927092 0.82 FBP1 (0.44) MERTKVCAM1MAPTPDE4APDE4B
SCHEMBL7428142 0.81 MAPT (0.48) MERTKVCAM1TSHRMAPTPDE4A
SCHEMBL10714746 0.81 MEN1 (0.54) MERTKVCAM1TSHRMAPK1MEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080099-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2018-04-11 EP disclosed
EP-3080099-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2018-04-11 EP disclosed
EP-3080098-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-12-06 EP disclosed
EP-3080098-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-12-06 EP disclosed
US-9802920-B2 Inhibitors of bruton's tyrosine kinase HOFFMAN-LA ROCHE INC. (US) 2017-10-31 US disclosed
US-9802920-B2 Inhibitors of bruton's tyrosine kinase HOFFMAN-LA ROCHE INC. (US) 2017-10-31 US disclosed
US-9802920-B2 Inhibitors of bruton's tyrosine kinase HOFFMAN-LA ROCHE INC. (US) 2017-10-31 US disclosed
US-9556150-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-01-31 US disclosed
US-9556150-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-01-31 US disclosed
US-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-27 US disclosed
US-20160304497-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-20 US disclosed
US-20160304497-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-20 US disclosed
EP-3080099-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-10-19 EP disclosed
EP-3080098-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-10-19 EP disclosed
CN-105793252-A Inhibitors of bruton's tyrosine kinase 豪夫迈·罗氏有限公司 2016-07-20 CN disclosed
CN-105722834-A Inhibitors of bruton's tyrosine kinase 豪夫迈·罗氏有限公司 2016-06-29 CN disclosed
WO-2015086642-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 WO disclosed
WO-2015086642-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 WO disclosed
WO-2015086636-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 WO disclosed
WO-2015086636-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 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-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN MERTK 69/4885VCAM1 667/4885TSHR 3971/4885
US-20160304497-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN MERTK 77/4885VCAM1 689/4885TSHR 3733/4885

“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.