SCHEMBL6180401

SCHEMBL6180401

CSc1nc(SC)nc(-n2c(C)nc3ccccc32)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
MAPK1 P28482 1/20 0.57
TSHR P16473 2/20 0.54
PIK3CB P42338 2/20 0.52
PIK3CD O00329 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CG P48736 1/20 0.52
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TNF P01375 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BMI1 P35226 2/20 0.41
VCP P55072 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
SCHEMBL63585 0.84 HTT (0.71) HTTMAPK1TSHRPIK3CBPIK3CD
SCHEMBL21959269 0.76 HTT (0.61) HTTMAPK1TSHRPIK3CBPIK3CD
SCHEMBL6178078 0.76 HTT (0.61) HTTMAPK1TSHRPIK3CBPIK3CD
SCHEMBL3062850 0.75 MAPK1 (0.70) HTTMAPK1TSHRPIK3CBPIK3CD
SCHEMBL12114697 0.75 MAPK1 (0.65) HTTMAPK1TSHRPIK3CBPIK3CD
SCHEMBL19486460 0.74 TSHR (0.82) HTTMAPK1TSHRPIK3CBPIK3CD
SCHEMBL16687529 0.73 MAPK1 (0.62) HTTMAPK1TSHRPIK3CBPIK3CD
SCHEMBL13826722 0.73 HTT (0.67) HTTMAPK1TSHRPIK3CBPIK3CD
SCHEMBL13080878 0.73 TSHR (0.73) HTTMAPK1TSHRPIK3CBPIK3CD
SCHEMBL13030954 0.73 HTT (0.79) HTTMAPK1TSHRPIK3CBPIK3CD

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 HTT 1293/4885MAPK1 3221/4885TSHR 2221/4885

“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.