SCHEMBL6695601

SCHEMBL6695601

CC(C)c1ccc(-c2nc(NC(=N)N)nc3ccc(Cl)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
GAA P10253 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.47
ADORA1 P30542 2/20 0.46
HSP90AB1 P08238 1/20 0.46
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
RAD52 P43351 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MAT2A P31153 1/20 0.41
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL6696127 0.90 MAPT (0.59) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6695182 0.88 HSP90AB1 (0.61) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6695754 0.87 MAPT (0.69) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6701160 0.86 MAPT (0.54) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6701110 0.86 MAPT (0.54) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6700375 0.85 MAPT (0.51) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6697410 0.85 MAPT (0.48) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6692442 0.84 MAPT (0.49) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6692468 0.83 MAPT (0.51) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6700265 0.81 MAPT (0.46) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1

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 4 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
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 666/4885SMN1; SMN2 4407/4885

“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.