SCHEMBL3076050

SCHEMBL3076050

[CH2]Sc1nc2cccnc2s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.73
POLB P06746 2/20 0.46
NPC1 O15118 10/20 0.42
RAB9A P51151 9/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 9/20 0.41
KDM4E B2RXH2 6/20 0.37
RUNX1 Q01196 3/20 0.37
CBFB Q13951 3/20 0.37
GAA P10253 3/20 0.37
GLA P06280 3/20 0.37
HPGD P15428 5/20 0.36
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 2/20 0.36
ADRA2A P08913 1/20 0.36
FBP1 P09467 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL1002931 0.81 PDK1 (0.73) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL15436225 0.75 PDK1 (0.63) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL9208015 0.75 PDK1 (0.63) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL9218365 0.74 PDK1 (0.56) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13768314 0.74 PDK1 (0.61) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL9211341 0.73 PDK1 (0.59) PDK1POLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL30190003 0.72 PDK1 (0.60) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL140126 0.72 PDK1 (0.60) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL9211417 0.72 PDK1 (0.54) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL9212502 0.72 PDK1 (0.58) PDK1POLBNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO claimed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 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-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 PDK1 3339/4885POLB 4147/4885NPC1 1444/4885

“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.