SCHEMBL2590855

SCHEMBL2590855

Fc1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.82
MAPT P10636 3/20 0.80
KMT2A Q03164 3/20 0.80
LMNA P02545 2/20 0.80
KDM4E B2RXH2 1/20 0.80
ALDH1A1 P00352 1/20 0.80
PKM P14618 1/20 0.80
UBE2N P61088 1/20 0.80
NPSR1 Q6W5P4 1/20 0.80
RCE1 Q9Y256 1/20 0.80
APP P05067 5/20 0.72
MEN1 O00255 2/20 0.72
BCHE P06276 5/20 0.72
ACHE P22303 5/20 0.72
NTRK1 P04629 2/20 0.65
CTNNB1 P35222 2/20 0.64
TCF7L2 Q9NQB0 2/20 0.64
CASP6 P55212 1/20 0.63
POLB P06746 1/20 0.63
MAPK1 P28482 1/20 0.63

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 SCHEMBL3643618 0.99 MAPT (0.83) RAD52MAPTKMT2ALMNAKDM4E
SCHEMBL3642835 0.93 RAD52 (0.72) RAD52MAPTKMT2ALMNAKDM4E
SCHEMBL3636951 0.92 RAD52 (0.69) RAD52MAPTKMT2ALMNAKDM4E
SCHEMBL12175837 0.91 RAD52 (1.00) RAD52MAPTKMT2ALMNAKDM4E
SCHEMBL2580376 0.87 RAD52 (0.76) RAD52MAPTKMT2ALMNAKDM4E
SCHEMBL2590399 0.87 RAD52 (0.70) RAD52MAPTKMT2ALMNAKDM4E
SCHEMBL21567246 0.87 BCHE (0.83) RAD52MAPTKMT2ALMNAKDM4E
SCHEMBL29490089 0.86 CTNNB1 (0.77) RAD52MAPTKMT2ALMNAKDM4E
SCHEMBL22342962 0.86 CTNNB1 (0.77) RAD52MAPTKMT2ALMNAKDM4E
SCHEMBL2583542 0.85 RAD52 (0.82) RAD52MAPTKMT2ALMNAKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US claimed
EP-2566480-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE California Institute of Technology (US) 2013-03-13 EP disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 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 (1 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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 RAD52 1076/4885MAPT 4284/4885KMT2A 4242/4885

“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.