SCHEMBL6696024

SCHEMBL6696024

N=C(N)Nc1nc(-c2ccccc2)c2cc(Cl)cc(Cl)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
THRB P10828 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.41
ADORA1 P30542 5/20 0.41
KMT2A Q03164 3/20 0.40
FABP4 P15090 2/20 0.40
FABP5 Q01469 2/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.40
PTGFR P43088 1/20 0.39
FABP3 P05413 1/20 0.38
CYP2C9 P11712 1/20 0.38
MEN1 O00255 2/20 0.37
ADORA2A P29274 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL6695769 0.85 DHODH (0.44) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL6695754 0.82 MAPT (0.69) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL6693939 0.80 GAA (0.51) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL6694550 0.79 ADORA1 (0.60) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL6696503 0.78 HSP90AB1 (0.41) MAPTGAAALDH1A1SMN1; SMN2ADORA1
SCHEMBL6691722 0.77 HSP90AB1 (0.41) MAPTGAAALDH1A1L3MBTL1TP53
SCHEMBL3488823 0.76 ADORA2A (0.51) MAPTGAAALDH1A1SMN1; SMN2ADORA1
SCHEMBL6693501 0.76 MAPT (0.64) MAPTGAATHRBALDH1A1KMT2A
SCHEMBL6699506 0.75 GAA (0.52) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL6696127 0.75 MAPT (0.59) MAPTGAATHRBALDH1A1SMN1; 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 6 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
EP-1274691-A1 2-GUANIDINO-4-ARYLCHINAZOLINES AS NHE-3 INHIBITORS MERCK PATENT GmbH (DE) 2003-01-15 EP claimed
WO-2001079186-A1 2-GUANIDINO-4-ARYLCHINAZOLINES AS NHE-3 INHIBITORS MERCK PATENT GMBH (DE) 2001-10-25 WO 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 666/4885THRB 1587/4885

“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.