SCHEMBL768176

SCHEMBL768176

Nc1c([N+](=O)[O-])ccc2c1C(=O)NC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 2/20 0.46
POLB P06746 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CES1 P23141 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CHEK1 O14757 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
THRB P10828 1/20 0.38
PARP1 P09874 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
S100A4 P26447 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL9503458 0.81 CYP3A4 (0.51) TDP1CYP3A4POLBBCHEACHE
SCHEMBL28133852 0.79 CYP3A4 (0.46) TDP1CYP3A4POLBBCHEACHE
SCHEMBL28061763 0.79 TDP1 (0.47) TDP1CYP3A4POLBBCHEACHE
SCHEMBL8098610 0.79 TDP1 (0.46) TDP1CYP3A4POLBBCHEACHE
SCHEMBL19358248 0.79 CYP3A4 (0.46) TDP1CYP3A4POLBBCHEACHE
SCHEMBL2653647 0.76 CYP3A4 (0.42) TDP1CYP3A4POLBBCHEACHE
SCHEMBL28869824 0.76 CYP3A4 (0.42) TDP1CYP3A4POLBBCHEACHE
SCHEMBL9453357 0.76 SMN1; SMN2 (0.51) TDP1CYP3A4POLBBCHEACHE
SCHEMBL571851 0.76 CYP3A4 (0.42) TDP1CYP3A4POLBBCHEACHE
SCHEMBL767501 0.75 PARP1 (0.50) TDP1CYP3A4POLBCHEK1MEN1

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-2066673-B1 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE CORP (US) 2016-12-28 EP disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
EP-2262807-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2010-12-22 EP disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed
EP-2066673-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2009-06-10 EP disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 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 (3 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP TDP1 376/4885CYP3A4 1201/4885POLB 1790/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP TDP1 376/4885CYP3A4 1201/4885POLB 1790/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP TDP1 376/4885CYP3A4 1201/4885POLB 1790/4885

“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.