Sugi Predict

Sugi Predict / Compounds / SCHEMBL13784102

SCHEMBL13784102

SCHEMBL13784102

Cc1cc(C)c(-c2nc3ccccc3nc2-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ MAPK1 P28482 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ GRIA1 P42261 1/20 0.45
▸ CACNG8 Q8WXS5 1/20 0.45
▸ CACNG2 Q9Y698 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ GSR P00390 1/20 0.44
▸ SIRT2 Q8IXJ6 2/20 0.43
▸ SIRT1 Q96EB6 2/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ PTGS2 P35354 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ ATR Q13535 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40

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
SCHEMBL13784160 0.91 ESR1 (0.47) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL13784048 0.90 ESR1 (0.49) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL13784101 0.89 ESR1 (0.52) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL13784100 0.87 TDP1 (0.59) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL13784159 0.87 ESR1 (0.46) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL4359026 0.87 ESR1 (0.61) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL15975530 0.87 ESR1 (0.61) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL13784204 0.87 ESR1 (0.61) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL13784047 0.86 ESR1 (0.48) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL13784152 0.86 ESR1 (0.55) ESR1ESR2MAPK1HTTGRIA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815412-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic appliance using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-08-26 — — US disclosed
US-8815412-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic appliance using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-08-26 — — US disclosed
US-20090184633-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Appliance Using the Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-07-23 — — US disclosed
US-20090184633-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Appliance Using the Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-07-23 — — 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-20090184633-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Appliance Using the Quinoxaline Derivative H1-0, NQO2, GDI1 ESR1 1434/4885ESR2 2914/4885MAPK1 1615/4885

“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.