SCHEMBL3335646

SCHEMBL3335646

O=C(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3C2B O00750 1/20 0.49
EGFR P00533 1/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
POLB P06746 2/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 3/20 0.47
BLM P54132 1/20 0.47
FYN P06241 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
CAMK2D Q13557 1/20 0.44
TDP2 O95551 1/20 0.43

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
SCHEMBL3334674 0.88 ALOX5 (0.53) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL14134338 0.84 KDM4E (0.54) PIK3C2BEGFRMEN1KMT2APOLB
SCHEMBL3339251 0.84 KDM4E (0.48) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL11939524 0.84 PIK3C2B (0.58) PIK3C2BEGFRMEN1KMT2APOLB
SCHEMBL3332910 0.82 SMN1; SMN2 (0.62) PIK3C2BEGFRMEN1KMT2APOLB
SCHEMBL3331772 0.81 MAPT (0.54) PIK3C2BEGFRMEN1KMT2APOLB
SCHEMBL3332828 0.80 POLB (0.53) PIK3C2BEGFRMEN1KMT2APOLB
SCHEMBL12340345 0.79 SMN1; SMN2 (0.50) PIK3C2BEGFRMEN1KMT2APOLB
SCHEMBL3336352 0.77 KDM4E (0.65) MEN1KMT2APOLBRECQLALDH1A1
SCHEMBL3333008 0.72 KMT2A (0.60) MEN1KMT2APOLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF M.D. ANDERSON CANCER CENTER (US) 2012-11-29 US disclosed
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF M.D. ANDERSON CANCER CENTER (US) 2012-11-29 US disclosed
US-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 US disclosed
US-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 US disclosed
EP-2471529-A2 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof Emory University (US) 2012-07-04 EP disclosed
EP-2364702-A2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof Emory University (US) 2011-09-14 EP disclosed
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 US disclosed
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 US disclosed
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
WO-2008079460-A2 TYROSINE KINASE INHIBITORS FOR PREVENTION OR TREATMENT OF INFECTION EMORY UNIVERSITY (US) 2008-07-03 WO disclosed
WO-2008030744-A2 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-03-13 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-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof MAP3K1, MAP3K2, MAP3K6 PIK3C2B 384/4885EGFR 711/4885MEN1 4195/4885
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF MET, HGF, HGFAC PIK3C2B 1703/4885EGFR 4/4885MEN1 82/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 PIK3C2B 384/4885EGFR 711/4885MEN1 4195/4885

“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.