SCHEMBL6693271

SCHEMBL6693271

N=C(N)Nc1nc(-c2ccc(Br)cc2)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 2/20 0.52
NUDT1 P36639 2/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
GRM2 Q14416 1/20 0.44
TP53 P04637 1/20 0.43
ATM Q13315 2/20 0.43
POLB P06746 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
RAD52 P43351 1/20 0.43
APP P05067 1/20 0.42
ADORA2A P29274 3/20 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
SCHEMBL6693501 0.90 MAPT (0.64) MAPTKMT2AMEN1GAANUDT1
SCHEMBL6701729 0.86 ADORA2A (0.57) MAPTKMT2AMEN1GAANUDT1
SCHEMBL6699506 0.86 GAA (0.52) MAPTKMT2AMEN1GAANUDT1
SCHEMBL6690822 0.85 L3MBTL1 (0.62) MAPTKMT2AGAAALDH1A1KDM4E
SCHEMBL6695597 0.83 MAPT (0.62) MAPTKMT2AMEN1GAANUDT1
SCHEMBL6701110 0.82 MAPT (0.54) MAPTKMT2AGAAALDH1A1L3MBTL1
SCHEMBL27581317 0.79 MAPT (0.50) MAPTKMT2AMEN1GAANUDT1
SCHEMBL6695891 0.78 KMT2A (0.49) MAPTKMT2AMEN1GAANUDT1
SCHEMBL6694550 0.76 ADORA1 (0.60) MAPTKMT2AMEN1GAANUDT1
SCHEMBL6695252 0.76 KDM4E (0.54) MAPTKMT2AMEN1GAANUDT1

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 4292/4885KMT2A 3326/4885MEN1 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.