SCHEMBL2905276

SCHEMBL2905276

NC(=O)[C](C(N)=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.62
CYP2C19 P33261 2/20 0.62
TSHR P16473 2/20 0.62
BLM P54132 2/20 0.62
RECQL P46063 2/20 0.62
CYP3A4 P08684 2/20 0.62
MAPT P10636 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
POLB P06746 1/20 0.62
PARP1 P09874 1/20 0.62
PMP22 Q01453 1/20 0.62
HSD17B10 Q99714 1/20 0.62
F2 P00734 2/20 0.55
F10 P00742 1/20 0.55
F12 P00748 1/20 0.55
F7 P08709 1/20 0.55
F3 P13726 1/20 0.55
PKM P14618 1/20 0.55
GAA P10253 1/20 0.54
CES1 P23141 5/20 0.52

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
SCHEMBL27291538 0.90 TDP1 (0.56) TDP1CYP2C19TSHRBLMRECQL
Benzoic Acid SCHEMBL27536326 0.78 TSHR (0.78) TDP1CYP2C19TSHRBLMRECQL
SCHEMBL27325956 0.78 TDP1 (0.62) TDP1CYP2C19TSHRBLMRECQL
SCHEMBL147282 0.78 CES2 (0.68) TDP1CYP2C19TSHRBLMRECQL
SCHEMBL958533 0.78 TDP1 (0.62) TDP1CYP2C19TSHRBLMRECQL
SCHEMBL1415252 0.78 TDP1 (0.62) TDP1CYP2C19TSHRBLMRECQL
SCHEMBL7567511 0.78 TDP1 (0.62) TDP1CYP2C19TSHRBLMRECQL
SCHEMBL10497226 0.78 TDP1 (0.62) TDP1CYP2C19TSHRBLMRECQL
SCHEMBL3949779 0.77 CES1 (0.58) TDP1CYP2C19TSHRBLMRECQL
Benzamide SCHEMBL1222101 0.77 PARP1 (1.00) TDP1CYP2C19TSHRBLMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771327-B1 NOVEL PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP claimed
US-9403808-B2 Pyrazine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-08-02 US claimed
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US claimed
EP-2051981-B1 1H-FURO[3,2-C] PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2010-08-25 EP claimed
US-20090239924-A1 1H-FURO[3,2-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-09-24 US claimed
EP-2051981-A1 1H-FURO[3,2-C] PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-04-29 EP claimed
WO-2007138017-A1 1H-FURO[3,2-C] PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-12-06 WO claimed
EP-2771327-B1 NOVEL PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP disclosed
US-9403808-B2 Pyrazine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-08-02 US disclosed
EP-2771327-A1 NOVEL PYRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-03 EP disclosed
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US disclosed
WO-2013060751-A1 NOVEL PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-02 WO disclosed
EP-2051981-B1 1H-FURO[3,2-C] PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2010-08-25 EP disclosed
US-20090239924-A1 1H-FURO[3,2-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-09-24 US disclosed
EP-2051981-A1 1H-FURO[3,2-C] PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-04-29 EP disclosed
WO-2007138017-A1 1H-FURO[3,2-C] PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-12-06 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-20090239924-A1 1H-FURO[3,2-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS IGF1R, CDK1, CDK15 TDP1 1354/4885CYP2C19 851/4885TSHR 289/4885
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES CNR2, CNR1, GPR174 TDP1 4497/4885CYP2C19 544/4885TSHR 422/4885

“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.