SCHEMBL3555337

SCHEMBL3555337

COc1ccc2nc(NN)nnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.51
POLB P06746 4/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 3/20 0.51
NQO2 P16083 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EGFR P00533 3/20 0.44
KDR P35968 1/20 0.44
NCF1 P14598 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 3/20 0.42
THRB P10828 2/20 0.42
BLM P54132 2/20 0.42
CASP6 P55212 1/20 0.42

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
SCHEMBL11601649 0.74 ALDH1A1 (0.56) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL8399923 0.74 ALDH1A1 (0.56) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL11351464 0.74 PIK3CG (0.59) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL10214298 0.73 MEN1 (0.87) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL10848647 0.72 ALDH1A1 (0.54) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL10844046 0.71 ALDH1A1 (0.53) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL5995026 0.70 MEN1 (0.56) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL11346871 0.70 PDPK1 (0.52) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL11706523 0.70 MAPT (0.64) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29506274 0.69 GAA (0.69) MEN1KMT2AALDH1A1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838672-B2 Use of fused ring-1,2,4-benzotriazine derivatives as herbicides or plant growth regulators for the control of undesired plants or vegetation, compounds and compositions thereof, and processes for their preparation BAYER CROPSCIENCE GMBH (DE) 2010-11-23 US disclosed
US-20070042909-A1 Use of fused ring-1,2,4-benzotriazine derivatives as herbicides or plant growth regulators for the control of undesired plants or vegetation, compounds and compositions thereof, and processes for their preparation BAYER CROPSCIENCE GMBH (DE) 2007-02-22 US disclosed
EP-1651650-A1 THE USE OF FUSED RING-1,2,4-BENZOTRIAZINE DERIVATIVES AS HERBICIDES OR PLANT GROWTH REGULATORS FOR THE CONTROL OF UNDESIRED PLANTS OR VEGETATION, COMPOUNDS AND COMPOSITIONS THEREOF, AND PROCESSES FOR THEIR PREPARATION Bayer CropScience GmbH (DE) 2006-05-03 EP disclosed
WO-2005014595-A1 THE USE OF FUSED RING-1,2,4-BENZOTRIAZINE DERIVATIVES AS HERBICIDES OR PLANT GROWTH REGULATORS FOR THE CONTROL OF UNDESIRED PLANTS OR VEGETATION, COMPOUNDS AND COMPOSITIONS THEREOF, AND PROCESSES FOR THEIR PREPARATION BAYER CROPSCIENCE GMBH (DE) 2005-02-17 WO disclosed
EP-1502918-A1 The use of fused ring-1,2,4-benzotriazine derivatives as herbicides or plant growth regulators for the control of undesired plants or vegetation, compounds and compositions thereof, and processes for their preparation Bayer CropScience GmbH (DE) 2005-02-02 EP 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-20070042909-A1 Use of fused ring-1,2,4-benzotriazine derivatives as herbicides or plant growth regulators for the control of undesired plants or vegetation, compounds and compositions thereof, and processes for their preparation BROX, CYP4X1, ZFX MEN1 3917/4885KMT2A 652/4885ALDH1A1 2477/4885

“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.