SCHEMBL4348246

SCHEMBL4348246

CC(=O)Nc1ccc(-c2ccc3c(-c4ccc(Cl)c(F)c4)n[nH]c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.48
KMT2A Q03164 6/20 0.44
KDM4E B2RXH2 6/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
IDO1 P14902 1/20 0.43
PRNP P04156 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
XDH P47989 1/20 0.41
TTK P33981 2/20 0.41
MAPK8 P45983 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 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
SCHEMBL4348577 0.90 KMT2A (0.47) ABL1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL4349719 0.90 ABL1 (0.47) ABL1MAPTTTKMAPK8TP53
SCHEMBL4348091 0.88 KMT2A (0.45) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL4348340 0.87 KDM4E (0.44) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL4348258 0.84 MEN1 (0.47) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL4349381 0.82 CNR1 (0.48) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL4344646 0.82 PDE5A (0.50) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL4362509 0.81 SIRT1 (0.40) ABL1MAPTIDO1HDAC6MAPK8
SCHEMBL11939493 0.81 HDAC6 (0.43) ABL1IDO1HDAC6MAPK8CDK2
SCHEMBL4348111 0.81 KDM4E (0.50) KMT2AKDM4EMEN1ALDH1A1HPGD

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 ABL1 21/4885KMT2A 1524/4885KDM4E 1924/4885
US-20110312992-A1 Inhibitors of C-Kit and Uses Thereof KIT, CHUK, MASTL ABL1 58/4885KMT2A 773/4885KDM4E 702/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 ABL1 21/4885KMT2A 1524/4885KDM4E 1924/4885
US-20090281115-A1 INHIBITORS OF C-KIT AND USES THEREOF KIT, CHUK, MASTL ABL1 58/4885KMT2A 773/4885KDM4E 702/4885

“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.