SCHEMBL4358943

SCHEMBL4358943

CC(=O)Nc1cccc(-c2ccc3c(-c4ccc(C)cc4C)n[nH]c3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PIK3C3 Q8NEB9 1/20 0.45
JAK3 P52333 1/20 0.45
MELK Q14680 1/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
ITK Q08881 2/20 0.44
CHEK1 O14757 1/20 0.44
FGFR1 P11362 1/20 0.44
NEK2 P51955 1/20 0.44
MAPK15 Q8TD08 1/20 0.44
TTK P33981 2/20 0.43
MAPK8 P45983 1/20 0.43
BRAF P15056 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 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
SCHEMBL4354540 0.89 KDM4E (0.49) NPC1RAB9AKDM4EALDH1A1ITK
SCHEMBL12035274 0.89 NPC1 (0.52) MAP2K7NPC1RAB9AKDM4EALDH1A1
SCHEMBL4348429 0.83 CNR1 (0.48) NPC1RAB9AKDM4EPIK3C3JAK3
SCHEMBL4352342 0.82 JAK3 (0.47) MAP2K7NPC1RAB9APIK3C3JAK3
SCHEMBL4358959 0.82 PDE5A (0.45) NPC1RAB9AKDM4EALDH1A1PIK3C3
SCHEMBL4344680 0.81 JAK3 (0.48) NPC1RAB9AKDM4EALDH1A1PIK3C3
SCHEMBL4361312 0.81 DYRK1A (0.50) NPC1RAB9AKDM4EALDH1A1PIK3C3
SCHEMBL12035391 0.80 JAK3 (0.49) NPC1RAB9AJAK3MELKHSD17B1
SCHEMBL11939374 0.80 FYN (0.62) KDM4EALDH1A1JAK3MELKHSD17B1
SCHEMBL4354392 0.80 TTK (0.49) NPC1RAB9AKDM4EALDH1A1JAK3

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 MAP2K7 119/4885NPC1 2073/4885RAB9A 1795/4885
US-20110312992-A1 Inhibitors of C-Kit and Uses Thereof KIT, CHUK, MASTL MAP2K7 228/4885NPC1 3235/4885RAB9A 1780/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 MAP2K7 119/4885NPC1 2073/4885RAB9A 1795/4885
US-20090281115-A1 INHIBITORS OF C-KIT AND USES THEREOF KIT, CHUK, MASTL MAP2K7 228/4885NPC1 3235/4885RAB9A 1780/4885

“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.