Sugi Predict

Sugi Predict / Compounds / SCHEMBL6525308

SCHEMBL6525308

SCHEMBL6525308

O=c1[nH]c2nccc(Oc3cccc(Br)c3)c2c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 13/20 0.50
▸ AURKB Q96GD4 8/20 0.50
▸ EGFR P00533 2/20 0.46
▸ BRAF P15056 1/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ ERBB2 P04626 1/20 0.40
▸ PTK6 Q13882 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPK13 O15264 1/20 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
SCHEMBL6517366 0.86 AURKA (0.53) AURKAAURKBBRAFPARP1PTK6
SCHEMBL3453781 0.86 AURKA (0.58) AURKAAURKBBRAFPARP1GRIN2D
SCHEMBL12786890 0.86 AURKA (0.52) AURKAAURKBBRAFPARP1GRIN2D
SCHEMBL6519343 0.86 AURKA (0.56) AURKAAURKBEGFRPARP1GRIN2D
SCHEMBL6519670 0.86 AURKA (0.56) AURKAAURKBEGFRPARP1GRIN2D
SCHEMBL6517411 0.86 AURKA (0.50) AURKAAURKBBRAFPTK6MAPT
SCHEMBL6521890 0.79 AURKA (0.63) AURKAAURKBBRAFPARP1PTK6
SCHEMBL6519567 0.79 PTK6 (0.54) AURKAAURKBPARP1PTK6MAPT
SCHEMBL6525321 0.79 AURKA (0.53) AURKAAURKBBRAFPARP1MAPK13
SCHEMBL6515936 0.78 AURKA (0.47) AURKAAURKBPARP1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 — — US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 — — US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 — — US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 — — EP disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 — — EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 — — US disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 — — US disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 — — US disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 — — WO 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-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 AURKA 538/4885AURKB 487/4885EGFR 815/4885

“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.