SCHEMBL10128853

SCHEMBL10128853

CC1(C)c2ccccc2-c2ccc(-c3nnc4c5ccccc5c5cc(Br)ccc5n34)cc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
PDE2A O00408 2/20 0.37
PDE10A Q9Y233 1/20 0.37
PTGER4 P35408 1/20 0.33
GSK3B P49841 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PDK2 Q15119 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL10128520 0.93 POLB (0.39) POLBPDE2APDE10APTGER4TP53
SCHEMBL10128470 0.90 POLB (0.49) POLBPDE2APDE10APTGER4MAPT
SCHEMBL10128854 0.89 POLB (0.41) POLBPDE2APDE10APTGER4PDK2
SCHEMBL10128895 0.88 POLB (0.42) POLBTP53MAPTKDM4EALDH1A1
SCHEMBL10128861 0.86 POLB (0.39) POLBPDE2APDE10APTGER4
SCHEMBL10128708 0.84 POLB (0.39) POLBTP53MAPTPDK2KDM4E
SCHEMBL10128475 0.83 POLB (0.46) POLBPDE2APDE10APTGER4PDK2
SCHEMBL10128532 0.82 POLB (0.38) POLBPDE2APDE10AMAPTKDM4E
SCHEMBL10127778 0.82 POLB (0.41) POLBKDM4EALDH1A1HPGD
SCHEMBL10127842 0.82 POLB (0.41) POLBKDM4EALDH1A1HPGD

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 POLB 3317/4885PDE2A 3339/4885PDE10A 3100/4885

“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.