SCHEMBL6181349

SCHEMBL6181349

COc1nc(OC)nc(-n2c(N)nc3cc(Cl)ccc32)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.43
NUDT1 P36639 1/20 0.43
ATR Q13535 1/20 0.41
KMT2A Q03164 1/20 0.39
CACNA1D Q01668 1/20 0.39
MAT2A P31153 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MAP3K14 Q99558 1/20 0.35
VCP P55072 1/20 0.34

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
SCHEMBL6178314 0.86 KMT2A (0.40) BACE1NUDT1KMT2AMAT2AALDH1A1
SCHEMBL6180354 0.86 KMT2A (0.47) KMT2AMAT2AALDH1A1PDE2APDE10A
SCHEMBL29361651 0.71 KMT2A (0.47) KMT2AMAT2AALDH1A1PDE2APDE10A
SCHEMBL175716 0.71 KMT2A (0.47) KMT2AMAT2AALDH1A1PDE2APDE10A
SCHEMBL1977970 0.71 BACE1 (0.56) BACE1NUDT1KMT2AALDH1A1
SCHEMBL13052931 0.71 KMT2A (0.55) KMT2AALDH1A1POLBPDE2AMAP3K14
SCHEMBL6179131 0.70 TLR8 (0.44) ATRKMT2ACACNA1DALDH1A1POLB
SCHEMBL2946987 0.69 NOS2 (0.55) BACE1NUDT1KMT2A
SCHEMBL15595340 0.68 BACE1 (0.64) BACE1NUDT1KMT2AALDH1A1POLB
SCHEMBL28897062 0.67 MAT2A (0.52) KMT2AMAT2APDE2APDE10AMAP3K14

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1132387-B1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 EP disclosed
US-6872729-B2 Pyrimidinylbenzimidazole and triazinylbenzimidazole derivatives and agricultural/horticultural fungicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-03-29 US disclosed
US-20040023966-A1 Agricultural/ horticultural fungicides containing said derivatives as the active ingredients. KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-02-05 US disclosed
US-6576631-B1 Broad disease control spectrum; residual effectiveness, rainfastness; nondamaging to crops KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-06-10 US disclosed
EP-1132387-A1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURA/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-09-12 EP 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-20040023966-A1 Agricultural/ horticultural fungicides containing said derivatives as the active ingredients. CBR3, TH, CASP3 BACE1 2059/4885NUDT1 2198/4885ATR 1188/4885

“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.