SCHEMBL6693501

SCHEMBL6693501

N=C(N)Nc1nc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
GAA P10253 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
NUDT1 P36639 3/20 0.59
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 2/20 0.56
GLA P06280 1/20 0.56
ADORA2A P29274 3/20 0.51
RAD52 P43351 1/20 0.51
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
THRB P10828 1/20 0.47
ATM Q13315 1/20 0.45
SCN9A Q15858 4/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL6693271 0.90 MAPT (0.52) MAPTGAAMEN1KMT2ANUDT1
SCHEMBL6699506 0.90 GAA (0.52) MAPTGAAMEN1KMT2ANUDT1
SCHEMBL6701729 0.90 ADORA2A (0.57) MAPTGAAMEN1KMT2ANUDT1
SCHEMBL27581317 0.88 MAPT (0.50) MAPTGAAMEN1KMT2ANUDT1
SCHEMBL6695597 0.87 MAPT (0.62) MAPTGAAMEN1KMT2ANUDT1
SCHEMBL6695891 0.87 KMT2A (0.49) MAPTGAAMEN1KMT2ANUDT1
SCHEMBL6694550 0.85 ADORA1 (0.60) MAPTGAAMEN1KMT2ANUDT1
SCHEMBL6695252 0.85 KDM4E (0.54) MAPTGAAMEN1KMT2ANUDT1
SCHEMBL6690822 0.83 L3MBTL1 (0.62) MAPTGAAKMT2AALDH1A1KDM4E
SCHEMBL6695754 0.83 MAPT (0.69) MAPTGAAMEN1KMT2AALDH1A1

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 4292/4885GAA 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.