SCHEMBL4349381

SCHEMBL4349381

CC(=O)Nc1ccc(-c2ccc3c(-c4ccc(Cl)cc4Cl)n[nH]c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.48
CNR2 P34972 10/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MOK Q9UQ07 2/20 0.43
EGFR P00533 1/20 0.43
ALOX5 P09917 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
GABRA1 P14867 1/20 0.43
ADRA2C P18825 1/20 0.43
MAPK3 P27361 1/20 0.43
OPRL1 P41146 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
SCHEMBL4348429 0.89 CNR1 (0.48) CNR1CNR2MEN1KMT2AKDM4E
SCHEMBL4348577 0.85 KMT2A (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4354540 0.82 KDM4E (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4348246 0.82 ABL1 (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL13614198 0.80 MAPT (0.53) CNR1KDM4EHPGDHSD17B10MAPT
SCHEMBL4348111 0.80 KDM4E (0.50) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4352546 0.80 CLK1 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4344646 0.79 PDE5A (0.50) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4348258 0.79 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL12035332 0.77 TTK (0.48) MEN1KMT2AKDM4EALDH1A1HPGD

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 CNR1 3733/4885CNR2 4068/4885MEN1 4195/4885
US-20110312992-A1 Inhibitors of C-Kit and Uses Thereof KIT, CHUK, MASTL CNR1 4064/4885CNR2 4132/4885MEN1 1273/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 CNR1 3733/4885CNR2 4068/4885MEN1 4195/4885
US-20090281115-A1 INHIBITORS OF C-KIT AND USES THEREOF KIT, CHUK, MASTL CNR1 4064/4885CNR2 4132/4885MEN1 1273/4885

“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.