SCHEMBL10128631

SCHEMBL10128631

Ic1ccc(-c2nnc3c4ccccc4c4ccccc4n23)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
PDE2A O00408 10/20 0.36
PDE10A Q9Y233 9/20 0.36
KDM4E B2RXH2 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TYMS P04818 1/20 0.33
MAPT P10636 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
G6PD P11413 1/20 0.32
PKM P14618 1/20 0.32
ALOX12 P18054 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10128632 0.93 POLB (0.48) POLBPDE2APDE10AMAPTMAOA
SCHEMBL10128628 0.86 POLB (0.47) POLBPDE2APDE10AMAPTMAOA
SCHEMBL10128649 0.84 POLB (0.45) POLBPDE2APDE10AMAPTMAOA
SCHEMBL10128447 0.82 POLB (0.46) POLBPDE2APDE10AKDM4ETYMS
SCHEMBL10127686 0.81 POLB (0.45) POLBPDE2APDE10AKDM4ETYMS
SCHEMBL10128650 0.80 POLB (0.45) POLBPDE2APDE10AKDM4EMAPT
SCHEMBL10128652 0.78 POLB (0.49) POLBKDM4ERXFP1TYMSMAPT
SCHEMBL10128443 0.78 POLB (0.48) POLBPDE2APDE10AMAOAMAOB
SCHEMBL10128440 0.77 POLB (0.47) POLBPDE2APDE10AMAOAMAOB
SCHEMBL10128626 0.77 POLB (0.53) POLBKDM4ERXFP1TYMSMAPT

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.