Sugi Predict

Sugi Predict / Compounds / SCHEMBL6519670

SCHEMBL6519670

SCHEMBL6519670

Nc1cccc(Oc2ccnc3[nH]c(=O)c4ccccc4c23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 14/20 0.56
▸ AURKB Q96GD4 8/20 0.53
▸ PARP1 P09874 3/20 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
▸ MAOB P27338 1/20 0.40
▸ MAPK13 O15264 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ RET P07949 1/20 0.40
▸ HCK P08631 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ SIK1 P57059 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
SCHEMBL6521890 0.86 AURKA (0.63) AURKAAURKBPARP1MAPK13CHEK2
SCHEMBL3453781 0.86 AURKA (0.58) AURKAAURKBPARP1GRIN2DGRIN3B
SCHEMBL6519343 0.86 AURKA (0.56) AURKAAURKBPARP1GRIN2DGRIN3B
SCHEMBL6517411 0.86 AURKA (0.50) AURKAAURKB
SCHEMBL12786890 0.86 AURKA (0.52) AURKAAURKBPARP1GRIN2DGRIN3B
SCHEMBL6525308 0.86 AURKA (0.50) AURKAAURKBPARP1GRIN2DGRIN3B
SCHEMBL6517929 0.83 AURKA (0.56) AURKAAURKBPARP1
SCHEMBL6521895 0.81 AURKA (0.54) AURKAAURKBPARP1
SCHEMBL12786893 0.80 AURKA (0.66) AURKAAURKBPARP1MAPK13CHEK2
SCHEMBL6517366 0.79 AURKA (0.53) AURKAAURKBPARP1MAPK13CHEK2

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 487/4885PARP1 1693/4885

“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.