SCHEMBL10062324

SCHEMBL10062324

c1ccc2c(CNc3ccncc3)c3ccccc3nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
RAD52 P43351 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE5A O76074 2/20 0.46
PTGS1 P23219 1/20 0.46
TBXAS1 P24557 1/20 0.46
PTGS2 P35354 1/20 0.46
TGFBR1 P36897 1/20 0.45
MAPK14 Q16539 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
F2 P00734 2/20 0.44
ACHE P22303 4/20 0.44
ROCK2 O75116 1/20 0.43
GRK2 P25098 1/20 0.43
PRSS1 P07477 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10061781 0.78 RAD52 (0.60) POLBRAD52KMT2AKDM4EALDH1A1
SCHEMBL10055006 0.75 MAPT (0.48) KMT2AKDM4EALDH1A1MAPT
SCHEMBL2126955 0.74 F2 (0.70) KMT2AALDH1A1HPGDF2PRSS1
SCHEMBL17423228 0.73 KDM4E (0.48) POLBRAD52KMT2APDE5APTGS1
SCHEMBL28187443 0.72 ADRA2B (0.38) KMT2AALDH1A1F2ROCK2GRK2
Hydrochloric Acid SCHEMBL27679067 0.72 F2 (0.68) KMT2AALDH1A1HPGDF2PRSS1
SCHEMBL5852507 0.72 KDM4E (0.52) POLBRAD52KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7422969 0.72 F2 (0.68) KMT2AALDH1A1HPGDF2PRSS1
SCHEMBL7125219 0.71 ADRA2A (0.67) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL10061506 0.71 POLB (0.64) POLBRAD52KMT2APTGS1KDM4E

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
EP-1853920-B1 FLUORESCENCE POLARIZATION ASSAYS FOR ACETYLTRANSFERASE/DEACETYLASE ACTIVITY SIRTRIS PHARMACEUTICALS INC (US) 2012-02-01 EP disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20080293081-A1 Fluorescence Polarization Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-20080293081-A1 Fluorescence Polarization Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC. (US) 2008-11-27 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-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B POLB 201/4885RAD52 2267/4885KMT2A 422/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 POLB 1158/4885RAD52 568/4885KMT2A 1098/4885

“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.