SCHEMBL3333529

SCHEMBL3333529

Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccs4)nc32)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.81
GAA P10253 3/20 0.81
NPSR1 Q6W5P4 2/20 0.81
CSNK2A1 P68400 9/20 0.66
KDM4E B2RXH2 6/20 0.64
HSD17B10 Q99714 4/20 0.64
HPGD P15428 3/20 0.64
ALDH1A1 P00352 2/20 0.64
USP2 O75604 2/20 0.64
MAPT P10636 1/20 0.64
PKM P14618 1/20 0.64
ALOX15 P16050 1/20 0.64
XBP1 P17861 1/20 0.64
MEN1 O00255 3/20 0.61
LMNA P02545 2/20 0.61
MAPK1 P28482 1/20 0.58
PIK3CD O00329 3/20 0.54
PIK3CA P42336 3/20 0.54
PIK3CB P42338 3/20 0.54
PIK3CG P48736 3/20 0.54

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
SCHEMBL3332413 0.93 KMT2A (0.72) KMT2AGAANPSR1CSNK2A1KDM4E
SCHEMBL3333973 0.83 CSNK2A1 (0.84) KMT2AGAACSNK2A1KDM4EHSD17B10
SCHEMBL3331372 0.83 CSNK2A1 (0.68) KMT2AGAANPSR1CSNK2A1KDM4E
SCHEMBL11940597 0.82 CSNK2A1 (0.79) KMT2AGAANPSR1CSNK2A1KDM4E
SCHEMBL14260531 0.81 GAA (0.55) KMT2AGAANPSR1CSNK2A1KDM4E
SCHEMBL12288530 0.80 CSNK2A1 (0.68) KMT2AGAANPSR1CSNK2A1KDM4E
SCHEMBL11939089 0.80 CSNK2A1 (0.67) KMT2AGAANPSR1CSNK2A1KDM4E
SCHEMBL3334350 0.79 CSNK2A1 (0.74) KMT2AGAACSNK2A1KDM4EHSD17B10
SCHEMBL11939631 0.79 PIK3CD (0.82) KMT2ACSNK2A1KDM4EHSD17B10HPGD
SCHEMBL3334412 0.78 CSNK2A1 (0.66) KMT2AGAANPSR1CSNK2A1KDM4E

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-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-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 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-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 US disclosed
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
WO-2008030744-A2 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-03-13 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-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof MAP3K1, MAP3K2, MAP3K6 KMT2A 1524/4885GAA 2254/4885NPSR1 4271/4885
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF MET, HGF, HGFAC KMT2A 1909/4885GAA 2319/4885NPSR1 1296/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 KMT2A 1524/4885GAA 2254/4885NPSR1 4271/4885

“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.