Sugi Predict

Sugi Predict / Compounds / SCHEMBL6530462

SCHEMBL6530462

SCHEMBL6530462

O=C(Nc1ccnc2[nH]c(=O)c3ccccc3c12)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 17/20 0.67
▸ AURKB Q96GD4 14/20 0.67
▸ MAPK13 O15264 1/20 0.67
▸ CHEK2 O96017 1/20 0.67
▸ NTRK1 P04629 1/20 0.67
▸ RET P07949 1/20 0.67
▸ HCK P08631 1/20 0.67
▸ FGFR1 P11362 1/20 0.67
▸ FLT4 P35916 1/20 0.67
▸ LIMK1 P53667 1/20 0.67
▸ SIK1 P57059 1/20 0.67
▸ TNK2 Q07912 1/20 0.67
▸ WNK3 Q9BYP7 1/20 0.67
▸ PARP1 P09874 1/20 0.54
▸ ERBB2 P04626 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ PABPC1 P11940 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ EIF4H Q15056 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL3454667 0.91 AURKA (0.83) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL6522634 0.83 AURKA (0.79) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL6531688 0.82 AURKA (0.93) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL6521527 0.82 AURKA (0.82) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL3454441 0.81 AURKA (0.78) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL3454160 0.81 AURKA (1.00) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL6530579 0.79 AURKA (1.00) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL6524923 0.79 AURKA (1.00) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL3454514 0.79 AURKA (1.00) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL3454688 0.79 AURKA (0.78) AURKAAURKBMAPK13CHEK2NTRK1

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 10 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
CN-101952287-A Kinases inhibitor and application thereof MERCK SERONO SA 2011-01-19 — — CN 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 487/4885MAPK13 56/4885

“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.