SCHEMBL3334853

SCHEMBL3334853

COc1ccc(C(=O)Nc2cccc(-c3ccc4nnc(-c5cccnc5)n4n3)c2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
KDM4E B2RXH2 2/20 0.63
RXFP1 Q9HBX9 5/20 0.59
PIK3C2B O00750 1/20 0.58
EGFR P00533 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 1/20 0.57
ALDH1A1 P00352 1/20 0.54
FYN P06241 3/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.50
TP53 P04637 1/20 0.50
LRRK2 Q5S007 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
SCHEMBL3338594 0.92 PIK3C2B (0.58) SMN1; SMN2KDM4ERXFP1PIK3C2BEGFR
SCHEMBL3330931 0.91 SMN1; SMN2 (0.65) SMN1; SMN2KDM4ERXFP1PIK3C2BEGFR
SCHEMBL3334165 0.90 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EMEN1KMT2ALMNA
SCHEMBL14134474 0.90 PIK3C2B (0.57) SMN1; SMN2KDM4ERXFP1PIK3C2BEGFR
SCHEMBL14134479 0.88 RXFP1 (0.61) SMN1; SMN2KDM4ERXFP1PIK3C2BEGFR
SCHEMBL3331901 0.87 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EMEN1KMT2ALMNA
SCHEMBL3332034 0.85 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EKMT2AALDH1A1FYN
SCHEMBL3332910 0.84 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EPIK3C2BEGFRMEN1
SCHEMBL11939100 0.82 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EKMT2AALDH1A1FYN
SCHEMBL3333917 0.81 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1

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 11 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-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
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 1924/4885RXFP1 4064/4885
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF MET, HGF, HGFAC SMN1; SMN2 4353/4885KDM4E 1415/4885RXFP1 2773/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 SMN1; SMN2 4310/4885KDM4E 1924/4885RXFP1 4064/4885

“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.