SCHEMBL6701110

SCHEMBL6701110

N=C(N)Nc1nc(-c2ccc(Br)cc2)c2cc(Cl)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
GAA P10253 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 2/20 0.49
ADORA1 P30542 1/20 0.48
HSP90AB1 P08238 1/20 0.45
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
RAD52 P43351 1/20 0.44
BACE1 P56817 1/20 0.43
ATM Q13315 1/20 0.42
DHODH Q02127 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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 0.92 MAPT (0.59) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6695754 0.89 MAPT (0.69) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6695182 0.88 HSP90AB1 (0.61) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6701160 0.88 MAPT (0.54) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6699515 0.87 MAPT (0.54) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6695601 0.86 MAPT (0.52) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6700375 0.85 MAPT (0.51) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6692468 0.85 MAPT (0.51) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6690822 0.84 L3MBTL1 (0.62) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6692442 0.83 MAPT (0.49) MAPTGAAL3MBTL1ALDH1A1SMN1; 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 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 666/4885L3MBTL1 3429/4885

“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.