SCHEMBL4354540

SCHEMBL4354540

CC(=O)Nc1ccc(-c2ccc3c(-c4ccc(C)cc4C)n[nH]c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
PDE10A Q9Y233 1/20 0.49
ITK Q08881 2/20 0.46
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 4/20 0.44
RXFP1 Q9HBX9 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MOK Q9UQ07 1/20 0.42
PRNP P04156 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CHEK1 O14757 1/20 0.41
CACNA1B Q00975 1/20 0.41

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
SCHEMBL4358943 0.89 MAP2K7 (0.47) KDM4EALDH1A1ITKMEN1KMT2A
SCHEMBL4348111 0.88 KDM4E (0.50) KDM4EALDH1A1PDE10AITKMEN1
SCHEMBL4349381 0.82 CNR1 (0.48) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4348091 0.82 KMT2A (0.45) KDM4EALDH1A1PDE10AITKMEN1
SCHEMBL4352546 0.81 CLK1 (0.44) KDM4EALDH1A1PDE10AMEN1KMT2A
SCHEMBL4348258 0.80 MEN1 (0.47) KDM4EALDH1A1PDE10AMEN1KMT2A
SCHEMBL4344646 0.80 PDE5A (0.50) KDM4EALDH1A1PDE10AMEN1KMT2A
SCHEMBL4348577 0.79 KMT2A (0.47) KDM4EALDH1A1PDE10AMEN1KMT2A
SCHEMBL12035274 0.78 NPC1 (0.52) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL12035332 0.78 TTK (0.48) KDM4EALDH1A1MEN1KMT2AHPGD

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 KDM4E 1924/4885ALDH1A1 4507/4885PDE10A 3451/4885
US-20110312992-A1 Inhibitors of C-Kit and Uses Thereof KIT, CHUK, MASTL KDM4E 702/4885ALDH1A1 1229/4885PDE10A 681/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 KDM4E 1924/4885ALDH1A1 4507/4885PDE10A 3451/4885
US-20090281115-A1 INHIBITORS OF C-KIT AND USES THEREOF KIT, CHUK, MASTL KDM4E 702/4885ALDH1A1 1229/4885PDE10A 681/4885

“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.