SCHEMBL10127883

SCHEMBL10127883

c1cc(-c2cccc(-c3nnc4c5ccccc5ccn34)c2)cc(-c2cccc3c2sc2ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
PRKDC P78527 8/20 0.39
PARP14 Q460N5 1/20 0.35
MAPT P10636 1/20 0.34
DNPH1 O43598 1/20 0.34
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
PAX8 Q06710 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRD4 O60885 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
KCNH2 Q12809 1/20 0.31
BRDT Q58F21 1/20 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
SCHEMBL10127866 0.99 ALOX5 (0.45) ALOX5PRKDCPARP14MAPTDNPH1
SCHEMBL10127881 0.96 ALOX5 (0.46) ALOX5PRKDCPARP14MAPTDNPH1
SCHEMBL10127885 0.92 ALOX5 (0.46) ALOX5PRKDCPARP14MAPTPIK3CD
SCHEMBL515586 0.90 ALOX5 (0.44) ALOX5PRKDCPARP14MAPTPIK3CD
SCHEMBL10127879 0.89 ALOX5 (0.43) ALOX5PRKDCPARP14MAPTPIK3CD
SCHEMBL10128005 0.86 ALOX5 (0.42) ALOX5PRKDCPARP14MAPTPIK3CD
SCHEMBL10127907 0.86 ALOX5 (0.41) ALOX5PRKDCPARP14
SCHEMBL10127904 0.86 ALOX5 (0.41) ALOX5PRKDCPARP14MAPTALDH1A1
SCHEMBL10127886 0.86 ALOX5 (0.40) ALOX5PRKDCPARP14MAPTPIK3CD
SCHEMBL10127871 0.85 PRKDC (0.41) ALOX5PRKDCPARP14MAPTPIK3CD

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 1457/4885PRKDC 2900/4885PARP14 1478/4885

“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.