SCHEMBL6695891

SCHEMBL6695891

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
GAA P10253 6/20 0.49
MEN1 O00255 6/20 0.49
MAPT P10636 3/20 0.49
NUDT1 P36639 1/20 0.49
TP53 P04637 1/20 0.48
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 3/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GLA P06280 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6693501 0.87 MAPT (0.64) KMT2AGAAMEN1MAPTNUDT1
SCHEMBL27581317 0.86 MAPT (0.50) KMT2AGAAMEN1MAPTNUDT1
SCHEMBL6695252 0.86 KDM4E (0.54) KMT2AGAAMEN1MAPTNUDT1
SCHEMBL6701729 0.86 ADORA2A (0.57) KMT2AGAAMEN1MAPTNUDT1
SCHEMBL6695246 0.85 KDM4E (0.65) KMT2AGAAMEN1MAPTTP53
SCHEMBL6693271 0.78 MAPT (0.52) KMT2AGAAMEN1MAPTNUDT1
SCHEMBL6699506 0.78 GAA (0.52) KMT2AGAAMEN1MAPTNUDT1
SCHEMBL6695597 0.78 MAPT (0.62) KMT2AGAAMEN1MAPTNUDT1
SCHEMBL6690807 0.77 GAA (0.41) KMT2AGAAMEN1MAPTNUDT1
SCHEMBL31457433 0.77 SMN1; SMN2 (0.54) KMT2AMEN1MAPTNUDT1TP53

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 6 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
EP-1274691-A1 2-GUANIDINO-4-ARYLCHINAZOLINES AS NHE-3 INHIBITORS MERCK PATENT GmbH (DE) 2003-01-15 EP claimed
WO-2001079186-A1 2-GUANIDINO-4-ARYLCHINAZOLINES AS NHE-3 INHIBITORS MERCK PATENT GMBH (DE) 2001-10-25 WO claimed
US-20040224965-A1 2-Guanidino-4-arylchinazolines as nhe-3 inhibitors MERCK PATENT GMBH (DE) 2004-11-11 US disclosed
EP-1274691-A1 2-GUANIDINO-4-ARYLCHINAZOLINES AS NHE-3 INHIBITORS MERCK PATENT GmbH (DE) 2003-01-15 EP disclosed
WO-2001079186-A1 2-GUANIDINO-4-ARYLCHINAZOLINES AS NHE-3 INHIBITORS MERCK PATENT GMBH (DE) 2001-10-25 WO 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 3326/4885GAA 666/4885MEN1 2298/4885

“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.