SCHEMBL6695597

SCHEMBL6695597

COc1ccc(-c2nc(NC(=N)N)nc3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
LMNA P02545 2/20 0.62
MAPK1 P28482 2/20 0.62
ADORA2A P29274 1/20 0.60
SCN9A Q15858 6/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
NUDT1 P36639 1/20 0.49
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
APP P05067 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL6695881 0.88 MAPT (0.53) MAPTLMNAMAPK1ADORA2AALDH1A1
SCHEMBL6693501 0.87 MAPT (0.64) MAPTLMNAMAPK1ADORA2ASCN9A
SCHEMBL6692482 0.86 MAPT (0.54) MAPTLMNAMAPK1ADORA2AALDH1A1
SCHEMBL6701729 0.86 ADORA2A (0.57) MAPTLMNAMAPK1ADORA2ASCN9A
SCHEMBL6699506 0.83 GAA (0.52) MAPTLMNAMAPK1ALDH1A1KDM4E
SCHEMBL6693271 0.83 MAPT (0.52) MAPTADORA2ASCN9AALDH1A1KDM4E
SCHEMBL6692409 0.79 WHR1 (0.59) MAPTLMNAMAPK1ALDH1A1KDM4E
SCHEMBL6695891 0.78 KMT2A (0.49) MAPTLMNAMAPK1ADORA2AALDH1A1
SCHEMBL6696581 0.77 KDM4E (0.43) MAPTLMNAMAPK1ADORA2AALDH1A1
SCHEMBL6695252 0.76 KDM4E (0.54) MAPTLMNAMAPK1ADORA2AALDH1A1

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 3 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 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 MAPT 4292/4885LMNA 2307/4885MAPK1 1164/4885

“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.