SCHEMBL5727412

SCHEMBL5727412

C[S+]([O-])c1nccc(-c2c(N)n[nH]c2-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ILK Q13418 7/20 0.45
▸ RPS6KA3 P51812 1/20 0.45
▸ AKT2 P31751 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ PIK3CG P48736 2/20 0.36
▸ PRKDC P78527 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL5726564 0.78 MAPK1 (0.54) MAPK1NPSR1ILKRPS6KA3AKT2
SCHEMBL27997668 0.77 AURKA (0.50) NPSR1RPS6KA3KMT2AAURKAHSP90AA1
SCHEMBL5726072 0.76 TGFBR1 (0.48) RPS6KA3AKT2AURKAPRKACAMAPK14
SCHEMBL5725765 0.74 PRKCD (0.53) MAPK1NPSR1ILKRPS6KA3KMT2A
SCHEMBL6070210 0.73 TGFBR1 (0.56) RPS6KA3AKT2AURKAPRKACAMAPK14
SCHEMBL5258699 0.70 HSP90AA1 (0.55) MAPK1NPSR1ILKRPS6KA3AKT2
SCHEMBL5820038 0.70 MAPK1 (1.00) MAPK1NPSR1ILKRPS6KA3AKT2
SCHEMBL5777962 0.69 ALDH1A1 (0.52) MAPK1NPSR1KMT2AKDM4EALDH1A1
SCHEMBL5257436 0.67 CHEK1 (0.46) MAPK1NPSR1ILKRPS6KA3AKT2
SCHEMBL6132051 0.67 MAPK1 (0.83) MAPK1NPSR1ILKRPS6KA3AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455579-B1 PYRAZOLES-PYRIMIDINE FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-09-06 — — EP disclosed
US-20050080101-A1 Pyrazoles-pyrimidine fungicides SYNGENTA CROP PROTECTION, INC. 2005-04-14 — — US disclosed
EP-1455579-A1 PYRAZOLES-PYRIMIDINE FUNGICIDES Syngenta Participations AG (CH) 2004-09-15 — — EP disclosed
WO-2003049542-A1 PYRAZOLES-PYRIMIDINE FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-06-19 — — 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-20050080101-A1 Pyrazoles-pyrimidine fungicides DHFR, CYP3A7, CBR3 MAPK1 2728/4885NPSR1 2243/4885ILK 4793/4885

“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.

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