SCHEMBL2582425

SCHEMBL2582425

O=C1Cc2ccc(Cl)cc2[N]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.43
CMA1 P23946 1/20 0.43
METAP1 P53582 1/20 0.42
F7 P08709 1/20 0.37
PARP1 P09874 1/20 0.37
F3 P13726 1/20 0.37
PARP10 Q53GL7 1/20 0.37
AADAT Q8N5Z0 2/20 0.36
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
S100A4 P26447 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TDP2 O95551 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7220196 0.71 PDE3B (0.40) AHRCMA1METAP1F7PARP1
SCHEMBL7463606 0.71 MAPK1 (0.40) AHRCMA1METAP1F7PARP1
SCHEMBL124176 0.70 CYP1A2 (0.44) AHRPDE3BPDE3AKDM4EGAA
SCHEMBL315498 0.68 MAPT (0.53) AHRKDM4EMAPTKMT2A
SCHEMBL11036926 0.67 NOS3 (0.41) HTR2AHTR2CHTR2BACHEKDM4E
SCHEMBL12777303 0.66 GRM2 (0.46) CYP11B1CYP11B2ACHEKDM4EMAPT
SCHEMBL1800067 0.66 METAP1 (0.52) AHRCMA1METAP1F7PARP1
SCHEMBL21154239 0.64 ACHE (0.38) AHRCMA1METAP1HTR2AHTR2C
SCHEMBL10691369 0.64 METAP1 (0.71) AHRCMA1METAP1F7PARP1
SCHEMBL6904514 0.63 HTR2A (0.50) AHRCMA1METAP1F7PARP1

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-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICE (US) 2013-05-02 US claimed
US-9708267-B2 Activators of human pyruvate kinase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-07-18 US disclosed
US-20150183744-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE US HEALTH (US) 2015-07-02 US disclosed
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICE (US) 2013-05-02 US disclosed
EP-2563761-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2013-03-06 EP disclosed
WO-2011137089-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-11-03 WO disclosed
US-4242507-A Sulfonic acid esters FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-12-30 US 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-20150183744-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK3 AHR 2320/4885CMA1 4528/4885METAP1 2722/4885
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PKLR AHR 2199/4885CMA1 4486/4885METAP1 2759/4885

“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.