SCHEMBL3334972

SCHEMBL3334972

Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(C4CCCCC4)nc32)cc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.81
LMNA P02545 2/20 0.80
KMT2A Q03164 3/20 0.62
MEN1 O00255 1/20 0.62
KDM4E B2RXH2 6/20 0.62
GAA P10253 6/20 0.62
HSD17B10 Q99714 5/20 0.62
MAPK1 P28482 2/20 0.62
CSNK2A1 P68400 7/20 0.58
USP2 O75604 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
ALOX15 P16050 1/20 0.57
XBP1 P17861 1/20 0.57
NPSR1 Q6W5P4 2/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL12288088 0.80 KMT2A (0.61) HPGDLMNAKMT2AMEN1KDM4E
SCHEMBL300882 0.78 LMNA (0.69) HPGDLMNAKMT2AMEN1KDM4E
SCHEMBL12288538 0.76 CSNK2A1 (0.56) HPGDLMNAKMT2AMEN1KDM4E
SCHEMBL3333973 0.75 CSNK2A1 (0.84) HPGDLMNAKMT2AMEN1KDM4E
SCHEMBL11939081 0.75 KMT2A (0.55) HPGDLMNAKMT2AMEN1KDM4E
SCHEMBL11940597 0.74 CSNK2A1 (0.79) HPGDLMNAKMT2AMEN1KDM4E
SCHEMBL14260531 0.74 GAA (0.55) HPGDLMNAKMT2AMEN1KDM4E
SCHEMBL3334350 0.74 CSNK2A1 (0.74) HPGDLMNAKMT2AMEN1KDM4E
SCHEMBL12288530 0.73 CSNK2A1 (0.68) HPGDLMNAKMT2AMEN1KDM4E
SCHEMBL11939089 0.72 CSNK2A1 (0.67) HPGDLMNAKMT2AMEN1KDM4E

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 13 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-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
EP-2471529-A2 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof Emory University (US) 2012-07-04 EP disclosed
EP-2364702-A2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof Emory University (US) 2011-09-14 EP 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
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 HPGD 3665/4885LMNA 3481/4885KMT2A 1524/4885
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF MET, HGF, HGFAC HPGD 3888/4885LMNA 4266/4885KMT2A 1909/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 HPGD 3665/4885LMNA 3481/4885KMT2A 1524/4885

“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.