Sugi Predict

Sugi Predict / Compounds / SCHEMBL6724947

SCHEMBL6724947

SCHEMBL6724947

CCC(C)c1nc2ccccc2nc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.41
▸ L3MBTL1 Q9Y468 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ AKT1 P31749 1/20 0.37
▸ AKT2 P31751 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAD51 Q06609 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ TNNI3 P19429 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL6725538 0.87 TDP1 (0.45) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL29634908 0.79 L3MBTL1 (0.57) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL275097 0.79 L3MBTL1 (0.57) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL12207629 0.79 L3MBTL1 (0.57) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL12721824 0.79 NPC1 (0.45) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL1926519 0.78 KDM4E (0.60) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL12207641 0.78 L3MBTL1 (0.55) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL4758408 0.78 L3MBTL1 (0.55) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL1372738 0.78 KDM4E (0.60) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL6724155 0.78 KDM4E (0.60) TDP1L3MBTL1KDM4ELMNAALDH1A1

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-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 — — US disclosed
US-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 — — US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 — — US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 — — 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-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative CRY1, GRK1, CRY2 TDP1 2515/4885L3MBTL1 826/4885KDM4E 2006/4885

“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.