SCHEMBL6695993

SCHEMBL6695993

N=C(N)Nc1nc(-c2ccccc2Br)c2cc(Cl)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
GAA P10253 4/20 0.49
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.44
ADORA1 P30542 1/20 0.44
POLB P06746 2/20 0.40
RAD52 P43351 1/20 0.40
THRB P10828 1/20 0.39
BACE1 P56817 1/20 0.38
GRM2 Q14416 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6693258 0.88 GAA (0.55) MAPTGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7031115 0.87 MAPT (0.50) MAPTGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6698125 0.86 MAPT (0.49) MAPTGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6700486 0.86 MAPT (0.49) MAPTGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6695754 0.84 MAPT (0.69) MAPTGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6713986 0.81 MAPT (0.45) MAPTGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6701110 0.81 MAPT (0.54) MAPTGAAKMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6718917 0.81 MAPT (0.44) MAPTGAAKMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6718923 0.81 MAPT (0.44) MAPTGAAKMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6718912 0.81 MAPT (0.44) MAPTGAAKMT2ASMN1; SMN2ALDH1A1

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 666/4885KMT2A 3326/4885

“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.