Sugi Predict

Sugi Predict / Compounds / SCHEMBL6522191

SCHEMBL6522191

SCHEMBL6522191

O=c1[nH]c2nccc(Nc3cccc(Cl)c3)c2c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 7/20 0.77
▸ ERBB2 P04626 5/20 0.77
▸ AURKA O14965 12/20 0.74
▸ AURKB Q96GD4 7/20 0.65
▸ FADS1 O60427 1/20 0.59
▸ MAPK13 O15264 1/20 0.58
▸ CHEK2 O96017 1/20 0.58
▸ NTRK1 P04629 1/20 0.58
▸ RET P07949 1/20 0.58
▸ HCK P08631 1/20 0.58
▸ FGFR1 P11362 1/20 0.58
▸ FLT4 P35916 1/20 0.58
▸ LIMK1 P53667 1/20 0.58
▸ SIK1 P57059 1/20 0.58
▸ TNK2 Q07912 1/20 0.58
▸ WNK3 Q9BYP7 1/20 0.58
▸ EGFR P00533 1/20 0.56
▸ SRC P12931 1/20 0.56
▸ ACVR1 Q04771 1/20 0.56
▸ ALK Q9UM73 1/20 0.56

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
SCHEMBL6521527 0.87 AURKA (0.82) PTK6ERBB2AURKAAURKBMAPK13
SCHEMBL3454240 0.85 AURKA (1.00) ERBB2AURKAAURKBMAPK13CHEK2
SCHEMBL6521467 0.85 AURKA (0.74) PTK6ERBB2AURKAAURKBMAPK13
SCHEMBL2485665 0.85 AURKA (0.77) PTK6ERBB2AURKAAURKBFADS1
SCHEMBL6523508 0.84 AURKA (0.78) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL6517484 0.82 AURKA (0.63) PTK6ERBB2AURKAAURKBMAPK13
SCHEMBL6519116 0.82 AURKA (0.63) PTK6ERBB2AURKAAURKBMAPK13
SCHEMBL6521574 0.82 AURKA (0.75) PTK6ERBB2AURKAAURKBMAPK13
SCHEMBL6525387 0.82 PTK6 (0.79) PTK6ERBB2AURKAAURKBMAPK13
SCHEMBL6524095 0.81 AURKA (0.61) PTK6ERBB2AURKAAURKBMAPK13

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 PTK6 186/4885ERBB2 256/4885AURKA 538/4885

“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.