SCHEMBL3498696

SCHEMBL3498696

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Cl)nc3ccncn23)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
CDK1 P06493 1/20 0.44
CYP1A2 P05177 1/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RY1 P47900 1/20 0.33

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
SCHEMBL3500776 0.85 GAA (0.48) GAACDK1CYP1A2MAPTTP53
SCHEMBL8535700 0.85 GAA (0.52) GAACDK1CYP1A2MAPTTP53
SCHEMBL55236 0.85 GAA (0.52) GAACDK1CYP1A2MAPTTP53
SCHEMBL1024744 0.80 GAA (0.47) GAACDK1CYP1A2MAPTTP53
SCHEMBL734690 0.80 GAA (0.51) GAACDK1CYP1A2MAPTTP53
SCHEMBL9362781 0.80 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL9367810 0.80 GAA (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL12633039 0.79 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL9357219 0.78 GAA (0.48) GAACDK1CYP1A2MAPTTP53
SCHEMBL9517338 0.78 GAA (0.50) GAACDK1CYP1A2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476021-B2 2013-07-02 US disclosed
US-20100184079-A1 SOYBEAN EVENT 3560.4.3.5 AND COMPOSITIONS AND METHODS FOR THE IDENTIFICATION AND DETECTION THEREOF PIONEER HI-BRED INTERNATIONAL, INC. (US) 2010-07-22 US 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-20100184079-A1 SOYBEAN EVENT 3560.4.3.5 AND COMPOSITIONS AND METHODS FOR THE IDENTIFICATION AND DETECTION THEREOF GMNN, DDX20, DPY30 GAA 900/4885CDK1 794/4885CYP1A2 3269/4885

“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.