SCHEMBL6694550

SCHEMBL6694550

N=C(N)Nc1nc(-c2ccccc2)c2ccc(Cl)cc2n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.60
GAA P10253 5/20 0.56
MAPT P10636 4/20 0.56
THRB P10828 1/20 0.52
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.46
RAD52 P43351 1/20 0.46
DHODH Q02127 1/20 0.44
NUDT1 P36639 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL6695754 0.91 MAPT (0.69) ADORA1GAAMAPTTHRBALDH1A1
SCHEMBL6699506 0.87 GAA (0.52) ADORA1GAAMAPTTHRBALDH1A1
SCHEMBL6693939 0.86 GAA (0.51) ADORA1GAAMAPTTHRBALDH1A1
SCHEMBL6693501 0.85 MAPT (0.64) GAAMAPTTHRBALDH1A1KMT2A
SCHEMBL6695252 0.85 KDM4E (0.54) ADORA1GAAMAPTALDH1A1TP53
SCHEMBL6696127 0.84 MAPT (0.59) ADORA1GAAMAPTTHRBALDH1A1
SCHEMBL6695583 0.83 APEX1 (0.46) ADORA1GAAMAPTTHRBSMN1; SMN2
SCHEMBL6695881 0.81 MAPT (0.53) ADORA1GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL6690817 0.81 MAPT (0.55) ADORA1GAAMAPTTHRBALDH1A1
SCHEMBL6701160 0.80 MAPT (0.54) ADORA1GAAMAPTTHRBALDH1A1

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 ADORA1 553/4885GAA 666/4885MAPT 4292/4885

“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.