SCHEMBL15515362

SCHEMBL15515362

O=C1NCc2cccn2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CLK4 Q9HAZ1 3/20 0.38
DYRK1B Q9Y463 2/20 0.38
CDK5 Q00535 2/20 0.38
DYRK1A Q13627 2/20 0.38
PIM1 P11309 1/20 0.38
CSNK1A1 P48729 1/20 0.38
ROCK1 Q13464 1/20 0.38
LRRK2 Q5S007 1/20 0.38
PARP1 P09874 7/20 0.37
PDPK1 O15530 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
TYRO3 Q06418 1/20 0.35
NTRK2 Q16620 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
MAP3K9 P80192 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
SCHEMBL7452911 0.76 GABRA5 (0.47) CA12CA9CLK4DYRK1BCDK5
SCHEMBL2731241 0.75 BRPF1 (0.44) BRPF1
SCHEMBL30963678 0.75 BRPF1 (0.44) BRPF1
SCHEMBL15231171 0.74
SCHEMBL7315748 0.73 KDM4E (0.39) CA12CA9HTR2BBRPF1
SCHEMBL9382715 0.73 CDK5 (0.37) CA12CA9CLK4DYRK1BCDK5
SCHEMBL9656030 0.73 PARP1 (0.34) CLK4CDK5DYRK1APARP1LTK
SCHEMBL25634870 0.72 DNMT1 (0.40)
SCHEMBL11411752 0.70 CA12 (0.42) CA12CA9CLK4DYRK1BCDK5
SCHEMBL1364964 0.69 BRPF1 (0.64) CA12CA9CLK4DYRK1BCDK5

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-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
EP-2892344-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP disclosed
WO-2014037313-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 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-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 CA12 4515/4885CA9 3938/4885CLK4 733/4885

“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.