SCHEMBL15720127

SCHEMBL15720127

COc1cc(-c2cccc([N+](=O)[O-])c2C)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
DYRK1A Q13627 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
IDO1 P14902 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KLK3 P07288 1/20 0.39
MEN1 O00255 1/20 0.39
S1PR4 O95977 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL23319487 0.88 ALDH1A1 (0.50) TDP1RAB9ANPC1DYRK1ACASP3
SCHEMBL1322023 0.80 ERN1 (0.52) TDP1TSHRSMN1; SMN2MAPK1RAB9A
SCHEMBL27775375 0.77 TDP1 (0.58) TDP1TSHRSMN1; SMN2MAPK1RAB9A
SCHEMBL15720549 0.76 PDCD1 (0.48) PDCD1CD274DYRK1AIDO1ACVR2A
SCHEMBL23674518 0.76 ACVR2A (0.43) DYRK1AIDO1MEN1S1PR1KMT2A
SCHEMBL20557352 0.75 PDE4D (0.49) TSHRSMN1; SMN2RAB9ANPC1IDO1
SCHEMBL30469329 0.75 PDE4D (0.49) TSHRSMN1; SMN2RAB9ANPC1IDO1
SCHEMBL23674512 0.74 PDE3B (0.43) PDCD1CD274DYRK1AIDO1MEN1
SCHEMBL22827545 0.74 PDCD1 (0.47) PDCD1CD274DYRK1AIDO1ACVR2A
SCHEMBL28636363 0.73 LRRK2 (0.47) DYRK1AIDO1S1PR1TXNRD1

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-2920162-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
EP-2920162-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
US-9458105-B2 Inhibitors of Bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-9458105-B2 Inhibitors of Bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-9458105-B2 Inhibitors of Bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-20150291525-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
US-20150291525-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
US-20150291525-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
EP-2920162-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2015-09-23 EP disclosed
WO-2014076104-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-05-22 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-20150291525-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN TDP1 232/4885PDCD1 1236/4885CD274 1811/4885

“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.