SCHEMBL6692415

SCHEMBL6692415

COc1cc2nc(N=C(N)N)nc(-c3ccccc3)c2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 7/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 3/20 0.64
MEN1 O00255 2/20 0.64
MAPT P10636 1/20 0.64
KDM4E B2RXH2 4/20 0.63
POLB P06746 3/20 0.63
HTT P42858 1/20 0.63
WHR1 P49842 2/20 0.61
MPO P05164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PDE4A P27815 1/20 0.44
PDE4D Q08499 1/20 0.44
SLC9A3 P48764 3/20 0.44
LMNA P02545 1/20 0.43
STAT6 P42226 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL6692491 0.85 KMT2A (0.67) RAD52KMT2AALDH1A1MEN1MAPT
SCHEMBL6695887 0.84 ALDH1A1 (0.67) RAD52KMT2AALDH1A1MEN1MAPT
SCHEMBL6693942 0.80 RAD52 (0.74) RAD52KMT2AALDH1A1MEN1MAPT
SCHEMBL6695249 0.80 KDM4E (0.71) RAD52KMT2AALDH1A1MEN1MAPT
SCHEMBL6696586 0.80 ALDH1A1 (0.60) RAD52KMT2AALDH1A1MEN1MAPT
SCHEMBL6695258 0.79 RAD52 (0.72) RAD52KMT2AALDH1A1MEN1MAPT
SCHEMBL6693510 0.79 RAD52 (1.00) RAD52KMT2AALDH1A1MEN1MAPT
SCHEMBL30759714 0.78 WHR1 (0.71) KDM4EWHR1L3MBTL1PDE3BPDE3A
SCHEMBL1257435 0.78 WHR1 (0.71) KDM4EWHR1L3MBTL1PDE3BPDE3A
SCHEMBL6695603 0.78 RAD52 (0.74) RAD52KMT2AALDH1A1MEN1MAPT

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 RAD52 4856/4885KMT2A 3326/4885ALDH1A1 875/4885

“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.