SCHEMBL6691744

SCHEMBL6691744

N=C(N)Nc1nc(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
MAPT P10636 6/20 0.45
GAA P10253 5/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
TP53 P04637 2/20 0.43
PTGFR P43088 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NUDT1 P36639 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
RAB9A P51151 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 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
SCHEMBL6692468 0.85 MAPT (0.51) DHODHMAPTGAAALDH1A1KDM4E
SCHEMBL6695608 0.84 ALDH1A1 (0.57) DHODHMAPTGAAALDH1A1KDM4E
SCHEMBL11703499 0.83 MAPT (0.64) DHODHMAPTGAAALDH1A1KDM4E
SCHEMBL6695754 0.81 MAPT (0.69) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL6690822 0.81 L3MBTL1 (0.62) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL6695246 0.81 KDM4E (0.65) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL6693501 0.80 MAPT (0.64) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL6693939 0.79 GAA (0.51) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL27579934 0.78 DHODH (0.47) DHODHMAPTGAAALDH1A1KDM4E
SCHEMBL6692482 0.78 MAPT (0.54) MAPTGAAALDH1A1KDM4ETP53

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 DHODH 3108/4885MAPT 4292/4885GAA 666/4885

“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.