SCHEMBL5726564

SCHEMBL5726564

CSc1nccc(-c2c(N)n[nH]c2-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ILK Q13418 5/20 0.47
RPS6KA3 P51812 1/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
AKT2 P31751 1/20 0.42
KMT2A Q03164 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.41
CSNK1E P49674 2/20 0.41
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL1458570 0.78 MAPK14 (0.47) MAPK1NPSR1MAPK13MAPK12MAPK11
SCHEMBL5727412 0.78 MAPK1 (0.51) MAPK1NPSR1ILKRPS6KA3MAPK14
SCHEMBL5725765 0.76 PRKCD (0.53) MAPK1NPSR1ILKRPS6KA3KMT2A
SCHEMBL1034731 0.75 DUSP10 (0.54) MAPK1NPSR1MAPK13MAPK12MAPK11
SCHEMBL6132086 0.75 TGFBR1 (0.50) MAPK1NPSR1RPS6KA3MAPK13MAPK12
SCHEMBL1383884 0.74 MAPK14 (0.46) MAPK1NPSR1MAPK13MAPK12MAPK11
SCHEMBL8640607 0.72 MAPK1 (0.73) MAPK1NPSR1ILKRPS6KA3MAPK14
SCHEMBL5258699 0.72 HSP90AA1 (0.55) MAPK1NPSR1ILKRPS6KA3MAPK13
SCHEMBL5820038 0.72 MAPK1 (1.00) MAPK1NPSR1ILKRPS6KA3MAPK14
SCHEMBL6070097 0.71 TGFBR1 (0.60) MAPK1NPSR1RPS6KA3MAPK13MAPK12

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.