SCHEMBL6180393

SCHEMBL6180393

COc1cc(OC)nc(-n2c(C(F)(F)F)nc3cc(C)ccc32)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
PIK3CB P42338 2/20 0.38
ACSS2 Q9NR19 2/20 0.38
RXRA P19793 1/20 0.36
CACNA1D Q01668 1/20 0.35
PIK3CA P42336 2/20 0.34
PIK3CD O00329 1/20 0.34
ALDH1A1 P00352 2/20 0.34
APEX1 P27695 1/20 0.34
TSHR P16473 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIK3CG P48736 1/20 0.32
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL6178038 0.87 MAPK1 (0.44) MAPK1PIK3CBACSS2RXRACACNA1D
SCHEMBL6179656 0.83 PIK3CD (0.47) MAPK1PIK3CBPIK3CAPIK3CDALDH1A1
SCHEMBL6179131 0.80 TLR8 (0.44) RXRACACNA1DPIK3CAPIK3CDALDH1A1
SCHEMBL6181550 0.80 PIK3CD (0.36) ACSS2PIK3CAPIK3CDHTTMEN1
SCHEMBL15000806 0.73 ALDH1A1 (0.46) MAPK1ACSS2RXRAALDH1A1TSHR
SCHEMBL175716 0.70 KMT2A (0.47) PIK3CAPIK3CDALDH1A1MEN1KMT2A
SCHEMBL29361651 0.70 KMT2A (0.47) PIK3CAPIK3CDALDH1A1MEN1KMT2A
SCHEMBL27527658 0.69 PIK3CD (0.45) PIK3CBPIK3CAPIK3CDALDH1A1HTT
SCHEMBL12796754 0.69 KMT2A (0.53) PIK3CBACSS2PIK3CAALDH1A1APEX1
SCHEMBL13052930 0.68 PIK3CD (0.48) MAPK1PIK3CBPIK3CAPIK3CDALDH1A1

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 MAPK1 3221/4885PIK3CB 965/4885ACSS2 3230/4885

“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.