SCHEMBL6303142

SCHEMBL6303142

CC(C)(F)c1nc(NC=NO)nc(NC(CCCc2ccccc2)C2CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.33
MMP2 P08253 10/20 0.33
MMP3 P08254 4/20 0.33
IDH2 P48735 3/20 0.32
PTAFR P25105 1/20 0.31
IDH1 O75874 2/20 0.31
HTR7 P34969 1/20 0.31
SOS1 Q07889 1/20 0.30

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
SCHEMBL7593638 0.84 CACNA2D1 (0.35) CACNA2D1IDH2PTAFRIDH1HTR7
SCHEMBL7593629 0.84 CACNA2D1 (0.33) CACNA2D1IDH2PTAFRIDH1HTR7
SCHEMBL1551807 0.82 HTR7 (0.42) CACNA2D1MMP2MMP3IDH2IDH1
SCHEMBL1551811 0.82 HTR7 (0.42) CACNA2D1MMP2MMP3IDH2IDH1
SCHEMBL1552520 0.82 HTR7 (0.42) CACNA2D1MMP2MMP3IDH2IDH1
SCHEMBL6305114 0.81 CACNA2D1 (0.35) CACNA2D1
SCHEMBL4004607 0.79 HTR7 (0.41) CACNA2D1MMP2MMP3HTR7
SCHEMBL6303160 0.78 BCHE (0.33) CACNA2D1MMP2MMP3IDH2IDH1
SCHEMBL6311424 0.76 SOS1 (0.36) CACNA2D1IDH2IDH1SOS1
SCHEMBL1551285 0.73 HTR7 (0.38) IDH1HTR7

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-6861389-B2 Substituted 2-amino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators AVENTIS CROPSCIENCE GMBH (DE) 2005-03-01 US disclosed
US-20030204083-A1 Substituted 2-amino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2003-10-30 US disclosed
US-20020115567-A1 Substituted 2-amino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators AVENTIS CROPSCIENCE GMBH (DE) 2002-08-22 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 (2 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-20030204083-A1 Substituted 2-amino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators QSOX1, DDT, MTX2 CACNA2D1 1670/4885MMP2 3156/4885MMP3 4093/4885
US-20020115567-A1 Substituted 2-amino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators QSOX1, BCL2A1, BCL2L2 CACNA2D1 1491/4885MMP2 3442/4885MMP3 4224/4885

“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.