SCHEMBL6696026

SCHEMBL6696026

NC(N)=Nc1nc(-c2ccccc2)c2cc(Cl)cc(Cl)c2n1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
RAD52 P43351 3/20 0.67
POLB P06746 2/20 0.67
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 1/20 0.58
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
MPO P05164 2/20 0.45
SLC9A3 P48764 5/20 0.44
PLAU P00749 1/20 0.43
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41

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
SCHEMBL6695775 0.84 KMT2A (0.65) KMT2ARAD52POLBMEN1ALDH1A1
SCHEMBL6695760 0.81 KMT2A (0.97) KMT2ARAD52POLBMEN1ALDH1A1
SCHEMBL6693942 0.78 RAD52 (0.74) KMT2ARAD52POLBMEN1ALDH1A1
SCHEMBL3488823 0.77 ADORA2A (0.51) ALDH1A1MAPTKDM4EFABP4FABP5
SCHEMBL6694553 0.77 KMT2A (0.81) KMT2ARAD52POLBMEN1ALDH1A1
SCHEMBL3486244 0.77 KDM4E (0.50) KMT2ARAD52POLBMEN1ALDH1A1
SCHEMBL6696507 0.77 RAD52 (0.51) KMT2ARAD52POLBMEN1ALDH1A1
SCHEMBL6691724 0.76 RAD52 (0.50) KMT2ARAD52POLBMEN1ALDH1A1
SCHEMBL6696024 0.74 MAPT (0.46) KMT2ARAD52POLBMEN1ALDH1A1
SCHEMBL6693510 0.74 RAD52 (1.00) KMT2ARAD52POLBMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224965-A1 2-Guanidino-4-arylchinazolines as nhe-3 inhibitors MERCK PATENT GMBH (DE) 2004-11-11 US claimed
CN-1422260-A 2-guanidino-4-arylchinazolines as NHE-3 inhibitors MERCK PATENT GMBH (DE) 2003-06-04 CN claimed
US-20040224965-A1 2-Guanidino-4-arylchinazolines as nhe-3 inhibitors MERCK PATENT GMBH (DE) 2004-11-11 US disclosed
CN-1422260-A 2-guanidino-4-arylchinazolines as NHE-3 inhibitors MERCK PATENT GMBH (DE) 2003-06-04 CN 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-20040224965-A1 2-Guanidino-4-arylchinazolines as nhe-3 inhibitors NHERF1, SLC9A3, SLC9A1 KMT2A 3326/4885RAD52 4856/4885POLB 4015/4885

“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.