SCHEMBL4352546

SCHEMBL4352546

CC(=O)Nc1ccc(-c2ccc3c(-c4ccc(Br)cc4F)n[nH]c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.44
DYRK1A Q13627 2/20 0.42
DYRK1B Q9Y463 1/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE3A Q14432 1/20 0.41
PRNP P04156 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4358959 0.89 PDE5A (0.45) DYRK1ADYRK1BKMT2AKDM4EMEN1
SCHEMBL4344646 0.86 PDE5A (0.50) CLK1DYRK1ADYRK1BKMT2AKDM4E
SCHEMBL4348340 0.85 KDM4E (0.44) DYRK1ADYRK1BKMT2AKDM4EMEN1
SCHEMBL11939520 0.82 GSK3A (0.39) DYRK1AKDM4EALDH1A1MAPTHPGD
SCHEMBL4348258 0.82 MEN1 (0.47) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4348091 0.81 KMT2A (0.45) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL11939490 0.81 KDM4E (0.44) KDM4EMAPT
SCHEMBL4354540 0.81 KDM4E (0.49) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4348246 0.81 ABL1 (0.48) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4349381 0.80 CNR1 (0.48) KMT2AKDM4EMEN1ALDH1A1MAPT

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 CLK1 252/4885DYRK1A 1423/4885DYRK1B 1409/4885
US-20110312992-A1 Inhibitors of C-Kit and Uses Thereof KIT, CHUK, MASTL CLK1 524/4885DYRK1A 2828/4885DYRK1B 2581/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 CLK1 252/4885DYRK1A 1423/4885DYRK1B 1409/4885
US-20090281115-A1 INHIBITORS OF C-KIT AND USES THEREOF KIT, CHUK, MASTL CLK1 524/4885DYRK1A 2828/4885DYRK1B 2581/4885

“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.