SCHEMBL4344646

SCHEMBL4344646

CC(=O)Nc1ccc(-c2ccc3c(-c4ccc(Br)cc4)n[nH]c3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.50
PDE1A P54750 1/20 0.50
PDE1B Q01064 1/20 0.50
PDE3B Q13370 1/20 0.50
PDE1C Q14123 1/20 0.50
PDE3A Q14432 1/20 0.50
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 4/20 0.47
PRNP P04156 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
DYRK1A Q13627 2/20 0.46
DYRK1B Q9Y463 1/20 0.46
TTK P33981 1/20 0.45
MAPK8 P45983 1/20 0.45

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
SCHEMBL4348111 0.89 KDM4E (0.50) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL4348258 0.88 MEN1 (0.47) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL4361312 0.88 DYRK1A (0.50) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL4348340 0.87 KDM4E (0.44) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL4352546 0.86 CLK1 (0.44) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL12035332 0.86 TTK (0.48) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL4348035 0.86 GSK3B (0.57) KMT2AKDM4EMEN1PRNPPOLB
SCHEMBL12035350 0.85 KDM4E (0.44) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL4349876 0.85 MOK (0.46) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL4348091 0.83 KMT2A (0.45) KMT2AKDM4EMEN1PRNPPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312992-A1 Inhibitors of C-Kit and Uses Thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-12-22 US claimed
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-20110312992-A1 Inhibitors of C-Kit and Uses Thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-12-22 US disclosed
US-20110312992-A1 Inhibitors of C-Kit and Uses Thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-12-22 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-20090281115-A1 INHIBITORS OF C-KIT AND USES THEREOF Board of Regents, The University of Texas System, a Texas University (US) 2009-11-12 US disclosed
US-20090281115-A1 INHIBITORS OF C-KIT AND USES THEREOF Board of Regents, The University of Texas System, a Texas University (US) 2009-11-12 US disclosed
WO-2008005877-A2 INHIBITORS OF C-KIT AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-01-10 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 (4 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 PDE5A 2550/4885PDE1A 1100/4885PDE1B 1286/4885
US-20110312992-A1 Inhibitors of C-Kit and Uses Thereof KIT, CHUK, MASTL PDE5A 949/4885PDE1A 1371/4885PDE1B 1423/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 PDE5A 2550/4885PDE1A 1100/4885PDE1B 1286/4885
US-20090281115-A1 INHIBITORS OF C-KIT AND USES THEREOF KIT, CHUK, MASTL PDE5A 949/4885PDE1A 1371/4885PDE1B 1423/4885

“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.