SCHEMBL3145102

SCHEMBL3145102

NNc1ccc2c(c1)C(=O)NC2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.55
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
GLA P06280 1/20 0.53
HPGD P15428 3/20 0.50
KMT2A Q03164 7/20 0.49
MEN1 O00255 4/20 0.49
ATIC P31939 1/20 0.49
HSD17B10 Q99714 1/20 0.47
ALOX12 P18054 1/20 0.47
PKM P14618 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
EGFR P00533 3/20 0.46
PRKD3 O94806 2/20 0.46
PRKCG P05129 2/20 0.46
PRKCB P05771 2/20 0.46
SRC P12931 2/20 0.46
PRKCA P17252 2/20 0.46
PRKCH P24723 2/20 0.46

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
SCHEMBL10282762 0.81 KDM4E (0.59) PPOXKDM4EALDH1A1GLAHPGD
SCHEMBL29262768 0.79 KDM4E (0.57) PPOXKDM4EALDH1A1GLAHPGD
SCHEMBL3145098 0.79 PPOX (0.55) PPOXKDM4EALDH1A1GLAHPGD
SCHEMBL9566653 0.77 KMT2A (0.49) PPOXKDM4EALDH1A1GLAHPGD
SCHEMBL9566671 0.77 ATM (0.55) PPOXKDM4EALDH1A1GLAHPGD
SCHEMBL24237008 0.76 PPOX (0.52) PPOXKDM4EALDH1A1GLAHPGD
SCHEMBL7915309 0.76 TERT (0.53) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL28135942 0.75 TDP1 (0.46) KDM4EALDH1A1MAPTTDP1
SCHEMBL6341593 0.75 KDM4E (0.58) PPOXKDM4EALDH1A1GLAHPGD
SCHEMBL4462900 0.75 KDM4E (0.66) KDM4EALDH1A1GLAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-01 US disclosed
EP-2129222-A1 DIAMINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-09 EP disclosed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 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-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES PM20D2, DDT, DDX41 PPOX 816/4885KDM4E 1075/4885ALDH1A1 616/4885

“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.