SCHEMBL10127447

SCHEMBL10127447

CC(C)(C)c1ccc2c(c1)c1ccccc1c1nnc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)n21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
POLB P06746 2/20 0.38
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP14 Q460N5 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HIF1A Q16665 1/20 0.34
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
PRKDC P78527 2/20 0.33
MAPK9 P45984 1/20 0.33
MAPK14 Q16539 1/20 0.33
PDE2A O00408 4/20 0.32
PDE10A Q9Y233 3/20 0.32
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL10127490 0.94 ALOX5 (0.39) ALOX5POLBTNKSTNKS2PARP14
SCHEMBL10127426 0.89 ALOX5 (0.43) ALOX5POLBTNKSTNKS2PARP14
SCHEMBL10127491 0.87 ALOX5 (0.41) ALOX5POLBTNKSTNKS2PARP14
SCHEMBL10127464 0.87 ALOX5 (0.46) ALOX5POLBTNKSTNKS2PARP14
SCHEMBL10128378 0.87 ALOX5 (0.43) ALOX5POLBTNKSTNKS2PARP14
SCHEMBL10127470 0.87 ALOX5 (0.43) ALOX5POLBTNKSTNKS2PARP14
SCHEMBL10128406 0.87 ALOX5 (0.43) ALOX5POLBTNKSTNKS2PARP14
SCHEMBL10127448 0.87 ALOX5 (0.43) ALOX5POLBTNKSTNKS2PARP14
SCHEMBL515975 0.87 ALOX5 (0.43) ALOX5POLBTNKSTNKS2PARP14
SCHEMBL515618 0.86 POLB (0.46) ALOX5POLBPARP14ALDH1A1PRKDC

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 ALOX5 1457/4885POLB 3317/4885TNKS 1422/4885

“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.