SCHEMBL4348111

SCHEMBL4348111

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDE10A Q9Y233 1/20 0.50
HPGD P15428 4/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 2/20 0.48
PRNP P04156 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 4/20 0.48
RXFP1 Q9HBX9 2/20 0.48
ADORA3 P0DMS8 3/20 0.47
ITK Q08881 2/20 0.47
TTK P33981 1/20 0.46
MAPK8 P45983 1/20 0.46
PDE5A O76074 1/20 0.46

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
SCHEMBL4344646 0.89 PDE5A (0.50) KDM4EALDH1A1PDE10AHPGDSMN1; SMN2
SCHEMBL4348258 0.89 MEN1 (0.47) KDM4EALDH1A1PDE10AHPGDRAB9A
SCHEMBL4354540 0.88 KDM4E (0.49) KDM4EALDH1A1TDP1PDE10AHPGD
SCHEMBL12035274 0.87 NPC1 (0.52) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4348035 0.87 GSK3B (0.57) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL12035332 0.87 TTK (0.48) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL12035350 0.86 KDM4E (0.44) KDM4EALDH1A1PDE10AHPGDRAB9A
SCHEMBL4349876 0.86 MOK (0.46) KDM4EALDH1A1PDE10AHPGDRAB9A
SCHEMBL4348385 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4348091 0.84 KMT2A (0.45) KDM4EALDH1A1PDE10AHPGDSMN1; SMN2

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 7 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-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-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 (3 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-20110312992-A1 Inhibitors of C-Kit and Uses Thereof KIT, CHUK, MASTL KDM4E 702/4885ALDH1A1 1229/4885TDP1 2539/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 KDM4E 1924/4885ALDH1A1 4507/4885TDP1 2080/4885
US-20090281115-A1 INHIBITORS OF C-KIT AND USES THEREOF KIT, CHUK, MASTL KDM4E 702/4885ALDH1A1 1229/4885TDP1 2539/4885

“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.