Sugi Predict

Sugi Predict / Compounds / SCHEMBL6525830

SCHEMBL6525830

SCHEMBL6525830

Nc1cccc(C#Cc2ccnc3[nH]c(=O)c4ccccc4c23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 13/20 0.55
▸ AURKB Q96GD4 9/20 0.52
▸ PIK3CA P42336 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ PDK1 Q15118 1/20 0.43
▸ PARP1 P09874 3/20 0.42
▸ ADRB2 P07550 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALK Q9UM73 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ MAPK13 O15264 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ RET P07949 1/20 0.39
▸ HCK P08631 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ SIK1 P57059 1/20 0.39

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
SCHEMBL6527193 0.87 AURKA (0.62) AURKAAURKBPIK3CAMTORPDK1
SCHEMBL6517228 0.86 AURKA (0.57) AURKAAURKBPARP1ALKMAPK13
SCHEMBL6521766 0.86 AURKA (0.51) AURKAAURKBPARP1ALKCHEK2
SCHEMBL6522991 0.86 AURKA (0.49) AURKAAURKBPARP1ALKMAPK13
SCHEMBL6519144 0.86 AURKA (0.55) AURKAAURKBPARP1ALKMAPK13
SCHEMBL6517403 0.83 AURKA (0.47) AURKAAURKBALK
SCHEMBL6523519 0.83 PTK6 (0.47) AURKAAURKBCHEK2RETFLT4
SCHEMBL6532860 0.81 AURKA (0.46) AURKAAURKBPARP1MAPK13CHEK2
SCHEMBL6525060 0.80 AURKA (0.52) AURKAAURKBPARP1ALKMAPK13
SCHEMBL6521997 0.80 AURKA (0.52) AURKAAURKBPARP1ALKMAPK13

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 7 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
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

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 487/4885PIK3CA 208/4885

“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.