SCHEMBL3333917

SCHEMBL3333917

COc1cc(C(=O)Nc2cccc(-c3ccc4nnc(-c5ccccc5)n4n3)c2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
KDM4E B2RXH2 4/20 0.58
CLK1 P49759 1/20 0.58
MAPT P10636 2/20 0.55
FYN P06241 1/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 3/20 0.53
HTT P42858 2/20 0.53
GAA P10253 2/20 0.53
GLA P06280 1/20 0.53
SMO Q99835 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 2/20 0.49
PSMD14 O00487 1/20 0.49
USP2 O75604 1/20 0.49
PRNP P04156 1/20 0.49
MMP2 P08253 1/20 0.49
PTPN7 P35236 1/20 0.49
PPARG P37231 1/20 0.49

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
SCHEMBL12340343 0.91 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ECLK1MAPTFYN
SCHEMBL3334165 0.91 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EMAPTFYNALDH1A1
SCHEMBL3338594 0.90 PIK3C2B (0.58) SMN1; SMN2KDM4ECLK1MAPTFYN
SCHEMBL3334332 0.89 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ECLK1MAPTFYN
SCHEMBL3332828 0.88 POLB (0.53) SMN1; SMN2KDM4ECLK1MAPTFYN
SCHEMBL3330931 0.85 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EMAPTFYNALDH1A1
SCHEMBL3331931 0.83 SMN1; SMN2 (0.82) SMN1; SMN2KDM4ECLK1MAPTALDH1A1
SCHEMBL14134186 0.83 KDM4E (0.59) SMN1; SMN2KDM4EMAPTFYNALDH1A1
SCHEMBL14134474 0.82 PIK3C2B (0.57) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A
SCHEMBL3332034 0.81 SMN1; SMN2 (0.63) SMN1; SMN2KDM4ECLK1MAPTFYN

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 SMN1; SMN2 4310/4885KDM4E 1924/4885CLK1 252/4885
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF MET, HGF, HGFAC SMN1; SMN2 4353/4885KDM4E 1415/4885CLK1 2511/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 SMN1; SMN2 4310/4885KDM4E 1924/4885CLK1 252/4885

“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.