SCHEMBL6695896

SCHEMBL6695896

Cc1cccc(-c2nc(N=C(N)N)nc3ccccc23)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 7/20 0.74
KMT2A Q03164 5/20 0.74
ALDH1A1 P00352 3/20 0.74
MEN1 O00255 3/20 0.74
MAPT P10636 1/20 0.74
MPO P05164 4/20 0.59
POLB P06746 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
NPFFR1 Q9GZQ6 1/20 0.48
NPFFR2 Q9Y5X5 1/20 0.48
ATP4A P20648 2/20 0.46
ATP4B P51164 2/20 0.46
SLC9A3 P48764 1/20 0.44
NR1I3 Q14994 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ADORA2A P29274 1/20 0.43

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
SCHEMBL6693510 0.86 RAD52 (1.00) RAD52KMT2AALDH1A1MEN1MAPT
SCHEMBL6695258 0.85 RAD52 (0.72) RAD52KMT2AALDH1A1MEN1MAPT
SCHEMBL6701733 0.85 RAD52 (0.81) RAD52KMT2AALDH1A1MEN1MAPT
SCHEMBL6695249 0.84 KDM4E (0.71) RAD52KMT2AALDH1A1MEN1MAPT
SCHEMBL27571645 0.82 RAD52 (0.71) RAD52KMT2AALDH1A1MEN1MAPT
SCHEMBL27571655 0.77 RAD52 (0.76) RAD52KMT2AALDH1A1MEN1MAPT
SCHEMBL19449135 0.77 NR1I3 (0.52) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL6699511 0.77 RAD52 (0.81) RAD52KMT2AALDH1A1MEN1MAPT
SCHEMBL6693275 0.77 KMT2A (0.81) RAD52KMT2AALDH1A1MEN1MAPT
SCHEMBL6695603 0.76 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 2 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
US-20040224965-A1 2-Guanidino-4-arylchinazolines as nhe-3 inhibitors MERCK PATENT GMBH (DE) 2004-11-11 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-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.