SCHEMBL10128046

SCHEMBL10128046

c1cc(-c2ccc(-c3nnc4c5ccccc5ccn34)cc2)cc(-c2cccc3c2oc2ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
GGPS1 O95749 1/20 0.38
PRKDC P78527 9/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PLA2G2A P14555 1/20 0.34
PLA2G4A P47712 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
SCHEMBL10128051 0.96 ALOX5 (0.44) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL10128032 0.95 ALOX5 (0.45) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL10128044 0.94 ALOX5 (0.43) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL10128029 0.92 ALOX5 (0.44) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL10128157 0.91 ALOX5 (0.42) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL10128036 0.90 ALOX5 (0.46) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL10128045 0.88 ALOX5 (0.40) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL10128088 0.86 PRKDC (0.37) PRKDCPIK3CDPIK3CBATMALDH1A1
SCHEMBL10128108 0.85 PIM1 (0.35) PRKDCPLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL10128133 0.84 ALOX5 (0.42) ALOX5GGPS1PRKDCPTGES2PIK3CD

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 1457/4885GGPS1 3000/4885PRKDC 2900/4885

“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.