SCHEMBL6200485

SCHEMBL6200485

O=C1CNCc2cccc3ccn1c23

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.36
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 1/20 0.33
PRKD1 Q15139 1/20 0.33
GSK3A P49840 3/20 0.31
GSK3B P49841 3/20 0.31
IKBKB O14920 1/20 0.30
HTR2C P28335 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL6964602 0.77 ACHE (0.37) PARP1
SCHEMBL6204235 0.76 HTR6 (0.33) PARP1PRKD3PRKCQGSK3AGSK3B
SCHEMBL7158056 0.73 CDK8 (0.38)
SCHEMBL6200649 0.73 HTR2C (0.36) PARP1GSK3AGSK3BHTR2CMEN1
SCHEMBL6198886 0.71 JAK2 (0.37) PARP1PRKACAGSK3BIKBKBMEN1
SCHEMBL6199001 0.71
SCHEMBL7156779 0.70 MAPT (0.39) PARP1GSK3BIKBKBKDM4EMAPT
SCHEMBL7159249 0.70 CYP2A6 (0.33)
SCHEMBL6204271 0.70 PARP1 (0.30) PARP1
SCHEMBL7165695 0.69 PARP1 (0.43) PARP1

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-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
EP-1208104-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMA (US) 2005-01-19 EP disclosed
US-6548494-B1 3,4-dihydro-2H-(1,4)diazepino(6,7,1-hi)indol-1-one or 1-thione derivatives where indole C3 could also be N; use treating cancers as well as stroke, head trauma, and neurodegenerative diseases AGOURON PHARMACEUTICALS, INC. 2003-04-15 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 (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 PARP1 2735/4885PRKD3 2146/4885PRKCG 1939/4885

“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.