SCHEMBL6692482

SCHEMBL6692482

COc1ccc2nc(NC(=N)N)nc(-c3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
TP53 P04637 1/20 0.53
MAPK1 P28482 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 8/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 5/20 0.46
GAA P10253 3/20 0.46
PLA2G2A P14555 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 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
SCHEMBL6695881 0.92 MAPT (0.53) MAPTTP53MAPK1LMNAKDM4E
SCHEMBL6695597 0.86 MAPT (0.62) MAPTTP53MAPK1LMNAKDM4E
SCHEMBL6692409 0.85 WHR1 (0.59) MAPTTP53MAPK1LMNAKDM4E
SCHEMBL6695246 0.84 KDM4E (0.65) MAPTTP53MAPK1LMNAKDM4E
SCHEMBL11706523 0.83 MAPT (0.64) MAPTTP53MAPK1LMNAKDM4E
SCHEMBL4104105 0.82 KDM4E (0.65) MAPTTP53LMNAKDM4ESMN1; SMN2
SCHEMBL6690822 0.81 L3MBTL1 (0.62) MAPTTP53LMNAKDM4ESMN1; SMN2
SCHEMBL6695608 0.81 ALDH1A1 (0.57) MAPTTP53MAPK1KDM4ESMN1; SMN2
SCHEMBL6695754 0.81 MAPT (0.69) MAPTTP53MAPK1LMNAKDM4E
SCHEMBL27579934 0.81 DHODH (0.47) MAPTTP53MAPK1KDM4ESMN1; SMN2

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 4292/4885TP53 3706/4885MAPK1 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.