SCHEMBL15093403

SCHEMBL15093403

CCc1cc([N+](=O)[O-])cc2cccnc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
RELA Q04206 3/20 0.64
HTT P42858 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
NPC1 O15118 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
PKM P14618 2/20 0.64
KDM4E B2RXH2 1/20 0.64
NFKB1 P19838 1/20 0.64
RAB9A P51151 1/20 0.64
CASP6 P55212 1/20 0.64
NFKB2 Q00653 1/20 0.64
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
PDE10A Q9Y233 1/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
PDE4D Q08499 5/20 0.47

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
SCHEMBL28028256 0.87 MAPT (0.62) MAPTRELAHTTTDP1NPC1
SCHEMBL28067761 0.87 MAPT (0.62) MAPTRELAHTTTDP1NPC1
SCHEMBL3113854 0.81 MAPT (0.68) MAPTRELAHTTTDP1NPC1
SCHEMBL4329054 0.80 MAPT (0.69) MAPTRELAHTTTDP1NPC1
SCHEMBL2167844 0.78 MAPT (1.00) MAPTRELAHTTTDP1NPC1
SCHEMBL31067261 0.78 MAPT (0.68) MAPTRELAHTTTDP1NPC1
SCHEMBL15007822 0.78 MAPT (0.68) MAPTRELAHTTTDP1NPC1
SCHEMBL13977911 0.78 MAPT (0.68) MAPTRELAHTTTDP1NPC1
SCHEMBL8545403 0.78 MAPT (0.67) MAPTRELAHTTTDP1NPC1
SCHEMBL5865168 0.78 MAPT (0.62) MAPTRELAHTTTDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701691-B2 Thienopyrimidine compounds HOFFMAN-LA ROCHE INC. (US) 2017-07-11 US disclosed
EP-2802590-B1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
CN-104159904-B Thienopyrimidine compounds 霍夫曼-拉罗奇有限公司 2016-12-14 CN disclosed
EP-2802590-A1 THIENOPYRIMIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2014-11-19 EP disclosed
CN-104159904-A Thienopyrimidine compounds HOFFMANN LA ROCHE 2014-11-19 CN disclosed
WO-2013104575-A1 THIENOPYRIMIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-07-11 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-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS SYK, BTK, LCK MAPT 3770/4885RELA 396/4885HTT 4581/4885

“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.