SCHEMBL10128852

SCHEMBL10128852

Cc1cc(C)c(-c2nnc3c4ccccc4c4cc(Br)ccc4n23)cc1C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 15/20 0.43
PDE10A Q9Y233 8/20 0.43
POLB P06746 1/20 0.39
PDE4B Q07343 1/20 0.33
GSK3B P49841 1/20 0.33
TSPO P30536 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
SCHEMBL10128891 0.85 POLB (0.39) PDE2APDE10APOLB
SCHEMBL19344751 0.83 POLB (0.42) PDE2APDE10APOLBTSPO
SCHEMBL10128851 0.83 POLB (0.44) PDE2APDE10APOLB
SCHEMBL10128846 0.82 PDE2A (0.46) PDE2APDE10APOLB
SCHEMBL10128454 0.82 POLB (0.45) PDE2APDE10APOLB
SCHEMBL515190 0.81 POLB (0.50) PDE2APDE10APOLB
SCHEMBL10128829 0.81 POLB (0.44) PDE2APDE10APOLBTSPO
SCHEMBL10128842 0.79 POLB (0.48) PDE2APDE10APOLB
SCHEMBL10128840 0.77 POLB (0.52) PDE2APDE10APOLB
SCHEMBL10128650 0.76 POLB (0.45) PDE2APDE10APOLB

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-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
WO-2012017842-A1 TRIAZOLE DERIVATIVE, HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-09 WO disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 US disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 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-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device HTR3D, KCNQ4, KCNQ3 PDE2A 3339/4885PDE10A 3100/4885POLB 3317/4885

“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.