SCHEMBL1902196

SCHEMBL1902196

NC(=O)Nc1ccnc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.67
PTPN11 Q06124 1/20 0.67
PLK4 O00444 1/20 0.58
CHEK1 O14757 1/20 0.58
PDPK1 O15530 1/20 0.58
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
CHEK2 O96017 1/20 0.58
CDK1 P06493 1/20 0.58
PIM1 P11309 1/20 0.58
RPS6KB1 P23443 1/20 0.58
CDK2 P24941 1/20 0.58
FLT4 P35916 1/20 0.58
KDR P35968 1/20 0.58
CSNK1D P48730 1/20 0.58
CDK8 P49336 1/20 0.58
CLK2 P49760 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
IRAK1 P51617 1/20 0.58

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
Hydrochloric Acid SCHEMBL7369035 0.98 PTPN1 (0.65) PTPN1PTPN11PLK4CHEK1PDPK1
SCHEMBL27489211 0.90 MEN1 (0.71) PTPN1PTPN11MEN1KMT2AKDM4E
SCHEMBL27579461 0.87 PLK4 (0.73) PTPN1PTPN11PLK4CHEK1PDPK1
SCHEMBL7370108 0.86 PTPN1 (0.67) PTPN1PTPN11PLK4CHEK1PDPK1
SCHEMBL13113090 0.84 MEN1 (0.79) PTPN1PTPN11PLK4CHEK1PDPK1
SCHEMBL4513912 0.84 PTPN1 (0.56) PTPN1PTPN11PLK4CHEK1PDPK1
SCHEMBL2780573 0.84 PTPN1 (0.56) PTPN1PTPN11PLK4CHEK1PDPK1
SCHEMBL7837169 0.81 PTPN1 (0.61) PTPN1PTPN11PLK4CHEK1PDPK1
SCHEMBL10296637 0.80 PTPN1 (0.60) PTPN1PTPN11PLK4CHEK1PDPK1
SCHEMBL13134227 0.80 PTPN1 (1.00) PTPN1PTPN11PLK4CHEK1PDPK1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1649857-A2 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2006-04-26 EP claimed
US-20050054650-A1 Use of glutamate antagonists for the treatment of cancer IKONOMIDOU HRISSANTHI (DE) 2005-03-10 US claimed
EP-1124553-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER Ikonomidou, Hrissanthi (DE) 2001-08-22 EP claimed
EP-1002535-A1 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2000-05-24 EP claimed
WO-2000024395-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER IKONOMIDOU HRISSANTHI (DE) 2000-05-04 WO claimed
US-20130281523-A1 LOW DOSE CANNABINOID MEDICAMENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2013-10-24 US disclosed
EP-2640379-A2 LOW DOSE CANNABINOID MEDICAMENTS Pier Pharmaceuticals (US) 2013-09-25 EP disclosed
US-20120231083-A1 SUSTAINED RELEASE CANNABINOID MEDICAMENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-09-13 US disclosed
WO-2012068516-A2 LOW DOSE CANNABINOID MEDICAMENTS PIER PHARMACEUTICALS (US) 2012-05-24 WO disclosed
US-8178496-B2 Photoreactive regulator of glutamate receptor function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-15 US disclosed
WO-2011063164-A2 SUSTAINED RELEASE CANNABINOID MEDICAMENTS STEADY SLEEP RX CO., INC. (US) 2011-05-26 WO disclosed
US-20090181454-A1 PHOTOREACTIVE REGULATOR OF GLUTAMATE RECEPTOR FUNCTION AND METHODS OF USE THEREOF ENERGY, UNITED STATE DEPARTMENT OF 2009-07-16 US disclosed
US-20050054619-A1 Use of glutamate antagonists for the treatment of cancer IKONOMIDOU HRISSANTHI (DE) 2005-03-10 US disclosed
US-20050054650-A1 Use of glutamate antagonists for the treatment of cancer IKONOMIDOU HRISSANTHI (DE) 2005-03-10 US disclosed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 US disclosed
US-6797692-B1 Use of glutamate antagonists for the treatment of cancer IKONOMIDOU HRISSANTHI (DE) 2004-09-28 US disclosed
US-20030050224-A1 Blocking glutamate function at an ionotropic glutamate receptor. e.g., N-methyl-D-aspartate receptor, the alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropanoic acid receptor and the kainate receptor; brain disorders; spinal chord NEDERGAARD MAIKEN (US) 2003-03-13 US disclosed
EP-1124553-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER Ikonomidou, Hrissanthi (DE) 2001-08-22 EP disclosed
EP-1002535-A1 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2000-05-24 EP disclosed
WO-2000024395-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER IKONOMIDOU HRISSANTHI (DE) 2000-05-04 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 (2 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-20090181454-A1 PHOTOREACTIVE REGULATOR OF GLUTAMATE RECEPTOR FUNCTION AND METHODS OF USE THEREOF GRM2, GRM1, GRM3 PTPN1 1730/4885PTPN11 1317/4885PLK4 4393/4885
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR PTPN1 3100/4885PTPN11 2838/4885PLK4 3161/4885

“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.